⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6024100 | 0.78 | — | — | |
| SCHEMBL10582834 | 0.70 | NOTUM (0.42) | — | |
| SCHEMBL9596381 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL9130678 | 0.67 | — | — | |
| SCHEMBL27703271 | 0.63 | KCNN4 (0.43) | — | |
| SCHEMBL180192 | 0.62 | — | — | |
| SCHEMBL25179050 | 0.62 | — | — | |
| SCHEMBL11024837 | 0.61 | — | — | |
| SCHEMBL21354749 | 0.61 | CYP3A4 (0.32) | — | |
| SCHEMBL60891 | 0.61 | — | — |
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-5399544-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1995-03-21 | — | — | US | disclosed |