⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17429481 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL4250358 | 0.73 | — | — | |
| SCHEMBL20263007 | 0.71 | — | — | |
| SCHEMBL3363123 | 0.71 | CES2 (0.32) | — | |
| SCHEMBL5064300 | 0.70 | CES1 (0.34) | — | |
| SCHEMBL3799875 | 0.69 | — | — | |
| SCHEMBL231812 | 0.68 | — | — | |
| SCHEMBL27628968 | 0.67 | THRB (0.56) | — | |
| SCHEMBL12036679 | 0.67 | — | — | |
| SCHEMBL252651 | 0.67 | — | — |
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-20160009747-A1 | PLATINUM METALLACYCLES COMPRISING N, P, OR AS RINGATOMS AND THEIR USE AS CATALYSTS IN 1,2-HYDROSILYLATION REACTIONS OF DIENES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-01-14 | — | — | US | disclosed |
| WO-2014138113-A2 | 1,2-HYDROSILYLATION OF DIENES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-09-12 | — | — | WO | disclosed |