⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL402955 | 1.00 | — | — | |
| SCHEMBL93565 | 1.00 | — | — | |
| Benzene SCHEMBL8040613 | 0.93 | ALDH1A1 (0.86) | — | |
| Oxirane SCHEMBL11628011 | 0.93 | ALDH1A1 (0.86) | — | |
| SCHEMBL31241201 | 0.84 | ALDH1A1 (0.72) | — | |
| SCHEMBL31241203 | 0.84 | ALDH1A1 (0.72) | — | |
| SCHEMBL2734455 | 0.84 | ALDH1A1 (0.73) | — | |
| SCHEMBL18100542 | 0.84 | ALDH1A1 (0.73) | — | |
| SCHEMBL586673 | 0.83 | ALDH1A1 (0.69) | — | |
| SCHEMBL12085964 | 0.81 | ALDH1A1 (0.67) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11710854-B2 | Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries | ENEVATE CORPORATION (US) | 2023-07-25 | — | — | US | disclosed |
| US-9624163-B2 | Process for preparing intermediates useful in the manufacture of NEP inhibitors | NOVARTIS AG (CH) | 2017-04-18 | — | — | US | disclosed |
| US-20150210632-A1 | NEW PROCESS | NOVARTIS AG (CH) | 2015-07-30 | — | — | US | disclosed |
| US-8101781-B2 | Process for the preparation of highly optical pure carvedilol | AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) | 2012-01-24 | — | — | US | disclosed |
| US-7956201-B2 | Reacting glycidyl ether with fluoride salt, then dialkylmalonate, coupling of (S)-4-fluoromethyl-dihydro-furan-2-one formed with amino-pyrido[2,1-a]isoquinoline derivative, cyclization; useful for treatment and/or prophylaxis of diseases associated with DPP IV such as diabetes, inflammatory bowel disease | HOFFMAN-LA ROCHE INC. (US) | 2011-06-07 | — | — | US | disclosed |
| US-7956201-B2 | Reacting glycidyl ether with fluoride salt, then dialkylmalonate, coupling of (S)-4-fluoromethyl-dihydro-furan-2-one formed with amino-pyrido[2,1-a]isoquinoline derivative, cyclization; useful for treatment and/or prophylaxis of diseases associated with DPP IV such as diabetes, inflammatory bowel disease | HOFFMAN-LA ROCHE INC. (US) | 2011-06-07 | — | — | US | disclosed |
| US-7956201-B2 | Reacting glycidyl ether with fluoride salt, then dialkylmalonate, coupling of (S)-4-fluoromethyl-dihydro-furan-2-one formed with amino-pyrido[2,1-a]isoquinoline derivative, cyclization; useful for treatment and/or prophylaxis of diseases associated with DPP IV such as diabetes, inflammatory bowel disease | HOFFMAN-LA ROCHE INC. (US) | 2011-06-07 | — | — | US | disclosed |
| EP-2079721-B1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | EP | disclosed |
| EP-2079721-B1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | EP | disclosed |
| EP-2079721-A2 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. Hoffmann-Roche AG (CH) | 2009-07-22 | — | — | EP | disclosed |
| US-6277997-B1 | HYDROGENATING ASYMMETRICALLY 2,5-DIHYDROFURAN DERIVATIVE IN PRESENCE OF CATALYST COMPRISING METAL DIPHOSPHINE COMPLEX TO PRODUCE LACTONE DERIVATIVE | HOFFMANN-LA ROCHE INC. | 2001-08-21 | — | — | US | disclosed |
| US-6264966-B1 | DEODORANTS; THERAPY FOR ORAL DISEASES | CONCAT, LTD. | 2001-07-24 | — | — | US | disclosed |
| US-6222039-B1 | REACTING LACTONE COMPOUND CONTAINING NITROGEN HETEROCYCLE WITH CYCLIC AMINE; OXIDIZING TO FORM CARBOXYLIC ACID GROUP; INTRODUCING HYDROXYLAMINE GROUP AT HYDROXYL OF CARBOXYLIC ACID GROUP | HOFFMAN-LA ROCHE INC. | 2001-04-24 | — | — | US | disclosed |
| US-6165996-A | Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis | CONCAT, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-0974590-A1 | Process for the preparation of chiral lactones by asymetrical hydrogenation | F. HOFFMANN-LA ROCHE AG (CH) | 2000-01-26 | — | — | EP | disclosed |
| EP-0955044-A2 | Method of inhibiting bacterial or fungal growth using a complexing agent | CONCAT LTD. (US) | 1999-11-10 | — | — | EP | disclosed |
| US-5874573-A | Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy | CONCAT, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0841951-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT LTD. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |
| WO-1997001360-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT, LTD. (US) | 1997-01-16 | — | — | WO | disclosed |