⚠ 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL625853 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL14899 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL6469074 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL1330109 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL1331891 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL1331669 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL1331795 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL28610206 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL22582794 | 0.91 | — | — | |
| Acrylonitrile SCHEMBL27362871 | 0.91 | ALDH1A1 (1.00) | — |
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-H1901-H | A FLAME RETARDANT AND CHEMICAL RESISTANCE THERMOPLASTIC MOLDING MATERIAL CONSISTS OF A BROMINE CONTAINING POLYCARBONATE, A THERMOPLASTIC POLYESTER, A GRAFT POLYMER AND A BROMINATED PHOSPHATE COMPOUND | BAYER CORPORATION (US) | 2000-10-03 | — | — | US | disclosed |