⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3020246 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28223324 | 0.97 | OPRM1 (0.39) | — | |
| Carbamic Acid SCHEMBL8164730 | 0.84 | CHRM1 (0.42) | — | |
| SCHEMBL9111053 | 0.82 | TRPV1 (0.38) | — | |
| SCHEMBL428264 | 0.82 | OPRM1 (0.40) | — | |
| SCHEMBL24017050 | 0.82 | OPRM1 (0.40) | — | |
| SCHEMBL5056986 | 0.81 | — | — | |
| SCHEMBL27100114 | 0.81 | — | — | |
| SCHEMBL22432667 | 0.81 | OPRM1 (0.38) | — | |
| SCHEMBL3370606 | 0.81 | — | — |
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-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |