⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10257656 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL544149 | 0.67 | MTNR1A (0.36) | — | |
| SCHEMBL543842 | 0.66 | KDM4E (0.34) | — | |
| SCHEMBL543885 | 0.64 | HTR2C (0.51) | — | |
| SCHEMBL543967 | 0.64 | CYP1A2 (0.40) | — | |
| SCHEMBL543385 | 0.63 | MTNR1B (0.53) | — | |
| SCHEMBL543196 | 0.62 | MTNR1B (0.62) | — | |
| SCHEMBL543240 | 0.59 | CYP2A6 (0.44) | — | |
| SCHEMBL4857995 | 0.58 | APP (0.50) | — | |
| SCHEMBL17859467 | 0.57 | ALDH1A1 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2141150-B1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2013-12-11 | — | — | EP | disclosed |
| US-8110585-B2 | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-07 | — | — | US | disclosed |
| US-20100130538-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-05-27 | — | — | US | disclosed |
| EP-2141150-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-01-06 | — | — | EP | disclosed |