⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4791763 | 0.73 | — | — | |
| Carbamic Acid SCHEMBL867375 | 0.73 | ACHE (0.44) | — | |
| SCHEMBL8625684 | 0.73 | — | — | |
| SCHEMBL10455715 | 0.71 | — | — | |
| SCHEMBL14738947 | 0.71 | — | — | |
| SCHEMBL27730460 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9396950 | 0.71 | — | — | |
| SCHEMBL9396943 | 0.71 | — | — | |
| SCHEMBL22189211 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL15412777 | 0.69 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0842160-B1 | FLUORINATED ALKENYLTRIAZINES AND THEIR USE AS CROSSLINKING AGENTS | DU PONT (US) | 2001-11-14 | — | — | EP | disclosed |