⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9547895 | 0.82 | MAPT (0.61) | — | |
| SCHEMBL7440903 | 0.78 | — | — | |
| SCHEMBL5582105 | 0.78 | — | — | |
| SCHEMBL13320059 | 0.77 | MAPT (0.49) | — | |
| SCHEMBL6872883 | 0.77 | CES2 (0.42) | — | |
| SCHEMBL27917539 | 0.75 | — | — | |
| SCHEMBL14950215 | 0.74 | — | — | |
| SCHEMBL31556325 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL2788985 | 0.74 | — | — | |
| SCHEMBL1384962 | 0.74 | TSHR (0.57) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057683-A | Preparation method of tiotropium bromide intermediate | 鲁南制药集团股份有限公司 | 2022-02-18 | — | — | CN | claimed |
| EP-0555153-A1 | Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides | ROUSSEL UCLAF (FR) | 1993-08-11 | — | — | EP | claimed |
| US-20220127215-A1 | A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT | FUDAN UNIVERSITY (CN) | 2022-04-28 | — | — | US | disclosed |
| CN-112979610-B | Diacetylene diol compound, and synthetic method and application thereof | 河南农业大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-114057683-A | Preparation method of tiotropium bromide intermediate | 鲁南制药集团股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-114057683-A | Preparation method of tiotropium bromide intermediate | 鲁南制药集团股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| EP-3919469-A1 | COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF | Fudan University (CN) | 2021-12-08 | — | — | EP | disclosed |
| WO-2020156238-A1 | COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF | 复旦大学 | 2020-08-06 | — | — | WO | disclosed |
| EP-1149092-B1 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |
| CN-1331689-A | 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles | HOFFMANN LA ROCHE (CH) | 2002-01-16 | — | — | CN | disclosed |
| US-6313310-B1 | JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT | HOFFMANN-LA ROCHE INC. | 2001-11-06 | — | — | US | disclosed |
| EP-1149092-A2 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000035906-A2 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |
| US-5405865-A | Pyrethroid esters | ROUSSEL-UCLAF (FR) | 1995-04-11 | — | — | US | disclosed |
| EP-0555153-A1 | Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides | ROUSSEL UCLAF (FR) | 1993-08-11 | — | — | EP | disclosed |
| US-4515768-A | STABILIZER AGAINST THERMAL DECOMPOSITION | AIRWICK INDUSTRIES, INC. (US) | 1985-05-07 | — | — | US | disclosed |
| US-4439415-A | PYRETHRINOID AND ABSORPTIVE SUBSTRATE | AIRWICK INDUSTRIES, INC. (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0036385-A2 | Insecticidal vapour-emitting compositions on the basis of pyrethrinoids | Airwick AG (CH) | 1981-09-23 | — | — | EP | disclosed |