⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11055867 | 0.79 | POLB (0.35) | — | |
| SCHEMBL13387401 | 0.71 | — | — | |
| SCHEMBL17397283 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL30899506 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL11052035 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL9803646 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL30899509 | 0.64 | HPGD (0.33) | — | |
| SCHEMBL422638 | 0.64 | — | — | |
| SCHEMBL572569 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL13452281 | 0.64 | — | — |
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-5338787-A | Flame retardant | ENICHEM SYNTHESIS, S.P.A. (IT) | 1994-08-16 | — | — | US | disclosed |
| US-5288869-A | Pentaerythryl phosphonates and their use in self-extinguishing thermoplastic polymeric compositions | ENICHEM SYNTHESIS S.P.A. (IT) | 1994-02-22 | — | — | US | disclosed |