⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31758232 | 0.66 | KMT2A (0.39) | — | |
| SCHEMBL18211897 | 0.62 | — | — | |
| SCHEMBL7396679 | 0.62 | — | — | |
| SCHEMBL25224708 | 0.59 | — | — | |
| SCHEMBL17187199 | 0.58 | — | — | |
| SCHEMBL22433110 | 0.57 | — | — | |
| SCHEMBL581025 | 0.57 | — | — | |
| SCHEMBL5930997 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL31758216 | 0.55 | — | — | |
| SCHEMBL9936611 | 0.50 | — | — |
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-4447606-A | CORROSION INHIBITOR*S | PETROLITE CORPORATION (US) | 1984-05-08 | — | — | US | claimed |
| US-4447606-A | CORROSION INHIBITOR*S | PETROLITE CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |