⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867036 | 0.77 | — | — | |
| SCHEMBL28863276 | 0.65 | CYP1A2 (0.30) | — | |
| SCHEMBL2612037 | 0.61 | — | — | |
| SCHEMBL14907181 | 0.59 | CYP1A2 (0.31) | — | |
| SCHEMBL992137 | 0.58 | — | — | |
| SCHEMBL13616668 | 0.58 | — | — | |
| SCHEMBL14501291 | 0.58 | KDM4E (0.31) | — | |
| SCHEMBL28240172 | 0.58 | KDM4E (0.36) | — | |
| SCHEMBL13854001 | 0.57 | MEN1 (0.35) | — | |
| SCHEMBL255341 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5006150-A | Herbicides | SANDOZ LTD. (CH) | 1991-04-09 | — | — | US | disclosed |