⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4608573 | 0.64 | — | — | |
| SCHEMBL11074834 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL5351523 | 0.60 | — | — | |
| SCHEMBL5350398 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL4635009 | 0.58 | ALOX15 (0.31) | — | |
| SCHEMBL2413574 | 0.51 | — | — | |
| SCHEMBL6355113 | 0.51 | — | — | |
| SCHEMBL853282 | 0.51 | — | — | |
| SCHEMBL21870875 | 0.50 | — | — | |
| SCHEMBL5909337 | 0.49 | — | — |
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-3937763-A | TETRAPOLYMER OF ETHYLENE-A-OLEFIN-HALONORBORNENE-NON-CONJUGATED POLYENES, DIENE RUBBER, BUTYL RUBBER | SUMITOMO CHEMICAL COMPANY, LTD. (JA) | 1976-02-10 | — | — | US | claimed |