⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14993232 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL5086158 | 0.67 | — | — | |
| SCHEMBL10457502 | 0.64 | TRPA1 (0.40) | — | |
| SCHEMBL10711474 | 0.64 | MAPT (0.33) | — | |
| SCHEMBL3859660 | 0.63 | — | — | |
| SCHEMBL21523570 | 0.62 | — | — | |
| SCHEMBL15021 | 0.61 | RAB9A (0.31) | — | |
| SCHEMBL4271507 | 0.60 | ESR2 (0.35) | — | |
| SCHEMBL4274327 | 0.60 | POLB (0.37) | — | |
| SCHEMBL12990831 | 0.60 | — | — |
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-5274137-A | Intermediates for preparation of taxols | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 1993-12-28 | — | — | US | disclosed |