⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16124281 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL16124294 | 0.72 | — | — | |
| SCHEMBL14457780 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL14681158 | 0.69 | FAAH (0.52) | — | |
| SCHEMBL6433930 | 0.65 | — | — | |
| SCHEMBL6436476 | 0.65 | — | — | |
| SCHEMBL17207272 | 0.62 | — | — | |
| Ethane SCHEMBL10945152 | 0.62 | TSHR (0.44) | — | |
| SCHEMBL5981620 | 0.61 | — | — | |
| SCHEMBL5580114 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9403854-B2 | Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-08-02 | — | — | US | disclosed |
| US-20140288319-A1 | CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-09-25 | — | — | US | disclosed |