⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7909718 | 0.79 | GBA2 (0.40) | — | |
| SCHEMBL11529742 | 0.75 | — | — | |
| SCHEMBL11532970 | 0.74 | SIGMAR1 (0.39) | — | |
| SCHEMBL24135089 | 0.73 | S1PR1 (0.38) | — | |
| SCHEMBL25059014 | 0.71 | S1PR1 (0.41) | — | |
| SCHEMBL11571899 | 0.70 | — | — | |
| SCHEMBL11647013 | 0.67 | — | — | |
| SCHEMBL19159501 | 0.65 | GBA2 (0.37) | — | |
| SCHEMBL21066228 | 0.64 | — | — | |
| SCHEMBL4886752 | 0.62 | S1PR1 (0.51) | — |
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-4148981-A | Dithiophosphorylated copolymers of aziridineethyl acrylates or methacrylates and alkyl acrylates or methacrylates | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1979-04-10 | — | — | US | disclosed |