⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23391158 | 0.85 | — | — | |
| SCHEMBL10489265 | 0.81 | — | — | |
| Benzene SCHEMBL28337751 | 0.76 | — | — | |
| Benzene SCHEMBL28824602 | 0.76 | — | — | |
| SCHEMBL28646219 | 0.76 | — | — | |
| SCHEMBL506597 | 0.76 | — | — | |
| Phosphoric Acid SCHEMBL27867496 | 0.72 | CA2 (0.36) | — | |
| Phosphoric Acid SCHEMBL9687123 | 0.72 | — | — | |
| Isothiocyanate SCHEMBL10489293 | 0.71 | — | — | |
| SCHEMBL10489290 | 0.71 | — | — |
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-4839254-A | Photosensitive mixture and photosensitive recording material produced therefrom with polymeric binder which is reaction product of (thio) phosphinic acidiso (thio) cyanate and active hydrogen containing polymer | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-06-13 | — | — | US | disclosed |