⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL159386 | 0.95 | CDK5 (0.33) | — | |
| SCHEMBL4148663 | 0.93 | CDK5 (0.32) | — | |
| SCHEMBL152157 | 0.93 | CDK5 (0.32) | — | |
| SCHEMBL557652 | 0.75 | PLK1 (0.41) | — | |
| SCHEMBL1593106 | 0.71 | HTR2C (0.41) | — | |
| SCHEMBL190720 | 0.71 | POLB (0.39) | — | |
| SCHEMBL467591 | 0.67 | DRD4 (0.45) | — | |
| SCHEMBL3341697 | 0.67 | NNMT (0.38) | — | |
| SCHEMBL22694432 | 0.67 | — | — | |
| SCHEMBL4141897 | 0.67 | OR51E2 (0.32) | — |
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 214 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3810116-B1 | NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-11-15 | — | — | EP | claimed |
| US-11352320-B2 | Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2022-06-07 | — | — | US | claimed |
| US-20210198190-A1 | NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-07-01 | — | — | US | claimed |
| EP-3810116-A1 | NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2021-04-28 | — | — | EP | claimed |
| EP-3624797-A1 | KINASE INHIBITORS AND USES THEREOF | Denali Therapeutics Inc. (US) | 2020-03-25 | — | — | EP | claimed |
| CN-110913858-A | Kinase inhibitors and uses thereof | 戴纳立制药公司 | 2020-03-24 | — | — | CN | claimed |
| US-20200087319-A1 | Kinase Inhibitors and Uses Thereof | DENALI THERAPEUTICS INC. (US) | 2020-03-19 | — | — | US | claimed |
| WO-2018213632-A1 | KINASE INHIBITORS AND USES THEREOF | DENALI THERAPEUTICS INC. (US) | 2018-11-22 | — | — | WO | claimed |
| EP-2855471-B1 | QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-15 | — | — | EP | claimed |
| US-9458179-B2 | Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-04 | — | — | US | claimed |
| EP-2089382-A1 | SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-08-19 | — | — | EP | claimed |
| EP-2076497-A1 | AMINOMETHYL-4-IMIDAZOLES | F. Hoffmann-Roche AG (CH) | 2009-07-08 | — | — | EP | claimed |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2009-04-23 | — | — | US | claimed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | claimed |
| WO-2008069997-A1 | SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-06-12 | — | — | WO | claimed |
| US-20080132490-A1 | Substituted diazepan orexin receptor antagonists | MERCK SHARP & DOHME LLC | 2008-06-05 | — | — | US | claimed |
| US-20080119535-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-22 | — | — | US | claimed |
| WO-2008046757-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-04-24 | — | — | WO | claimed |
| US-20030216571-A1 | Antiallergens; antiinflammatory agents | UBE INDUSTRIES, LTD. (JP) | 2003-11-20 | — | — | US | claimed |
| EP-1254897-A1 | TRICYCLIC COMPOUNDS | Ube Industries, Ltd. (JP) | 2002-11-06 | — | — | EP | claimed |