⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28637754 | 0.81 | — | — | |
| SCHEMBL3892471 | 0.77 | — | — | |
| SCHEMBL9712465 | 0.77 | KIF11 (0.33) | — | |
| SCHEMBL10490681 | 0.77 | GABRA1 (0.34) | — | |
| SCHEMBL2457348 | 0.71 | RAD51 (0.41) | — | |
| SCHEMBL1738978 | 0.69 | ALDH1A1 (0.58) | — | |
| Carbon Dioxide SCHEMBL28226418 | 0.67 | ALDH1A1 (0.52) | — | |
| SCHEMBL27238977 | 0.67 | ESR1 (0.41) | — | |
| SCHEMBL2321474 | 0.67 | TP53 (0.48) | — | |
| SCHEMBL9397354 | 0.67 | TTR (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4868241-A | POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE | AMERICAN CYANAMID COMPANY (US) | 1989-09-19 | — | — | US | claimed |
| EP-0231922-A2 | Electron beam and X-ray resists | AMERICAN CYANAMID COMPANY (US) | 1987-08-12 | — | — | EP | claimed |
| US-4868241-A | POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE | AMERICAN CYANAMID COMPANY (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0231922-A2 | Electron beam and X-ray resists | AMERICAN CYANAMID COMPANY (US) | 1987-08-12 | — | — | EP | disclosed |