⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4881997 | 0.72 | — | — | |
| SCHEMBL26992 | 0.72 | — | — | |
| SCHEMBL23595592 | 0.67 | SHBG (0.45) | — | |
| SCHEMBL11467601 | 0.67 | — | — | |
| SCHEMBL921777 | 0.67 | — | — | |
| SCHEMBL19438196 | 0.67 | — | — | |
| SCHEMBL8021879 | 0.67 | — | — | |
| SCHEMBL922281 | 0.65 | — | — | |
| SCHEMBL2995478 | 0.65 | SHBG (0.50) | — | |
| SCHEMBL22926357 | 0.63 | ALOX5 (0.30) | — |
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-5203907-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |