⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1331254 | 0.81 | — | — | |
| SCHEMBL1258954 | 0.79 | — | — | |
| SCHEMBL692132 | 0.79 | — | — | |
| SCHEMBL7608002 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL2824302 | 0.75 | CYP1A2 (0.45) | — | |
| SCHEMBL21348457 | 0.75 | CYP1A2 (0.46) | — | |
| SCHEMBL2827715 | 0.75 | CYP4F2 (0.41) | — | |
| SCHEMBL22310669 | 0.75 | NTRK1 (0.39) | — | |
| SCHEMBL11509030 | 0.72 | — | — | |
| Carbamic Acid SCHEMBL11198785 | 0.72 | TRPA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4147863-A | BACTERICIDES | SANKYO COMPANY LIMITED (JP) | 1979-04-03 | — | — | US | disclosed |
| US-4051129-A | REACTION OF BENZYLIDENIMINO GROUP WITH HYDRAZINE, AMIDATION | SANKYO COMPANY LIMITED (JA) | 1977-09-27 | — | — | US | disclosed |
| US-4007177-A | BACTERICIDE, ANTIBIOTIC | SANKYO COMPANY LIMITED (JA) | 1977-02-08 | — | — | US | disclosed |