⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8041586 | 0.76 | — | — | |
| SCHEMBL5537773 | 0.72 | — | — | |
| SCHEMBL27478178 | 0.72 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL21706907 | 0.72 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL9574888 | 0.72 | PRKACA (0.35) | — | |
| SCHEMBL16643143 | 0.71 | — | — | |
| SCHEMBL14420274 | 0.70 | — | — | |
| SCHEMBL14420270 | 0.70 | — | — | |
| SCHEMBL10200718 | 0.70 | — | — | |
| SCHEMBL13502510 | 0.70 | — | — |
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-4672140-A | CHEMICAL INTERMEDIATE FOR SORBIC ACID | MONSANTO COMPANY (US) | 1987-06-09 | — | — | US | disclosed |
| EP-0055934-A2 | Acyloxy alkenoic acids and process therefor | MONSANTO COMPANY (US) | 1982-07-14 | — | — | EP | disclosed |