⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23198643 | 0.78 | — | — | |
| SCHEMBL23198640 | 0.75 | — | — | |
| SCHEMBL1091581 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL31031165 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL1091580 | 0.69 | ALDH1A1 (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL22572517 | 0.69 | PHGDH (0.33) | — | |
| SCHEMBL11731209 | 0.67 | FDPS (0.43) | — | |
| SCHEMBL10874806 | 0.67 | — | — | |
| SCHEMBL181792 | 0.67 | — | — | |
| SCHEMBL8007026 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0335408-A2 | Substituted benzene derivatives, processes for their production and antitumour compositions containing them | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1989-10-04 | — | — | EP | disclosed |
| US-4702761-A | O,O-dialkyl phosphoramidothioate plant growth enhancers | THE DOW CHEMICAL COMPANY (US) | 1987-10-27 | — | — | US | disclosed |