⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14666745 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL3017241 | 0.82 | CA12 (0.34) | — | |
| SCHEMBL3029231 | 0.73 | RARA (0.34) | — | |
| SCHEMBL3023259 | 0.71 | ADORA2A (0.31) | — | |
| SCHEMBL3025597 | 0.69 | PPARA (0.34) | — | |
| SCHEMBL9286433 | 0.69 | TDP1 (0.40) | — | |
| SCHEMBL3023100 | 0.69 | MAPT (0.49) | — | |
| SCHEMBL17049520 | 0.68 | LMNA (0.33) | — | |
| SCHEMBL14666735 | 0.68 | RARA (0.33) | — | |
| SCHEMBL16381648 | 0.68 | KDM4E (0.40) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2179994-B1 | FUSED BICYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORP (JP) | 2013-06-26 | — | — | EP | disclosed |
| US-8410166-B2 | Fused bicyclic compound | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-04-02 | — | — | US | disclosed |
| US-20130029979-A1 | FUSED BICYCLIC COMPOUND | TAKAHASHI YOICHI (JP) | 2013-01-31 | — | — | US | disclosed |
| US-8258131-B2 | Fused bicyclic compound | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-09-04 | — | — | US | disclosed |
| US-8258131-B2 | Fused bicyclic compound | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-09-04 | — | — | US | disclosed |
| US-20100204218-A1 | FUSED BICYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-08-12 | — | — | US | disclosed |
| US-20100204218-A1 | FUSED BICYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-08-12 | — | — | US | disclosed |
| EP-2179994-A1 | FUSED BICYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2010-04-28 | — | — | EP | disclosed |