⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2046063 | 0.84 | — | — | |
| SCHEMBL2042156 | 0.83 | S1PR1 (0.35) | — | |
| SCHEMBL3663915 | 0.79 | KCNH2 (0.39) | — | |
| SCHEMBL13550174 | 0.78 | NOS3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL20797553 | 0.77 | S1PR1 (0.35) | — | |
| SCHEMBL13991192 | 0.75 | KCNH2 (0.38) | — | |
| SCHEMBL6468034 | 0.73 | — | — | |
| SCHEMBL27791136 | 0.72 | KCNH2 (0.36) | — | |
| SCHEMBL22275501 | 0.71 | — | — | |
| SCHEMBL5541955 | 0.71 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019049061-A1 | 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-03-14 | — | — | WO | disclosed |
| US-9018175-B2 | 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives | TAKEDA GMBH (DE) | 2015-04-28 | — | — | US | disclosed |
| EP-2813509-A1 | 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives | Takeda GmbH (DE) | 2014-12-17 | — | — | EP | disclosed |
| EP-2513119-B1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-06-25 | — | — | EP | disclosed |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2012-11-15 | — | — | US | disclosed |
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |
| US-20080287438-A1 | Agent for preventing or treating neuropathy | MOMOSE YU | 2008-11-20 | — | — | US | disclosed |
| US-7423159-B2 | Agent for preventing or treating neuropathy | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-09 | — | — | US | disclosed |
| US-7368578-B2 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20060135578-A1 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | US | disclosed |
| CN-1731994-A | Prophylactic and therapeutic agent for neuropathy | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2006-02-08 | — | — | CN | disclosed |
| US-20060004069-A1 | Agent for preventing or treating neuropathy | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-05 | — | — | US | disclosed |
| EP-1556032-A1 | AGENT FOR PREVENTING OR TREATING NEUROPATHY | Takeda Pharmaceutical Company Limited (JP) | 2005-07-27 | — | — | EP | disclosed |
| EP-1541564-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004039365-A1 | AGENT FOR PREVENTING OR TREATING NEUROPATHY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-13 | — | — | WO | disclosed |