⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2378845 | 0.89 | — | — | |
| SCHEMBL10490210 | 0.78 | CES1 (0.36) | — | |
| SCHEMBL10490172 | 0.73 | — | — | |
| SCHEMBL8096522 | 0.73 | TDP1 (0.37) | — | |
| SCHEMBL28568724 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL2389184 | 0.69 | — | — | |
| SCHEMBL5959772 | 0.65 | TET2 (0.37) | — | |
| SCHEMBL2405658 | 0.65 | — | — | |
| Alcohol SCHEMBL29125643 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL1598829 | 0.65 | TDP1 (0.35) | — |
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-4859795-A | Ethylenically unsaturated phosphinic acid and thiophosphinic acid isocyanates and isothiocyanates, and a process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-22 | — | — | US | disclosed |
| US-4859562-A | Photosensitive mixture and photosensitive recording material produced therefrom with polymeric compound which is reaction product of unsaturated (thio)phosphinic acid iso(thio)cyanate and active hydrogen containing compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-22 | — | — | US | disclosed |