⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8742418 | 0.67 | — | — | |
| SCHEMBL5850299 | 0.65 | — | — | |
| SCHEMBL10348392 | 0.65 | — | — | |
| SCHEMBL11348665 | 0.63 | — | — | |
| SCHEMBL337984 | 0.60 | — | — | |
| SCHEMBL213567 | 0.60 | — | — | |
| SCHEMBL778351 | 0.58 | — | — | |
| SCHEMBL517991 | 0.58 | — | — | |
| Water SCHEMBL28932523 | 0.57 | — | — | |
| SCHEMBL27947915 | 0.57 | CA2 (0.42) | — |
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-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 |