⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253199 | 0.79 | — | — | |
| SCHEMBL10339196 | 0.75 | — | — | |
| SCHEMBL2936276 | 0.75 | — | — | |
| SCHEMBL9698794 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL277923 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL29478044 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL3902627 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL29155 | 0.72 | — | — | |
| SCHEMBL8816040 | 0.72 | — | — | |
| SCHEMBL26683813 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4576998-A | FURNITURE, MACHINE COMPONENTS | THE DOW CHEMICAL COMPANY (US) | 1986-03-18 | — | — | US | disclosed |