⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9173568 | 0.79 | EPHX1 (0.47) | — | |
| SCHEMBL17633472 | 0.77 | — | — | |
| SCHEMBL9173185 | 0.77 | — | — | |
| SCHEMBL15496325 | 0.76 | — | — | |
| SCHEMBL8554621 | 0.76 | — | — | |
| SCHEMBL9282454 | 0.69 | — | — | |
| SCHEMBL15663177 | 0.68 | — | — | |
| SCHEMBL20582872 | 0.67 | LMNA (0.34) | — | |
| SCHEMBL1313262 | 0.66 | — | — | |
| SCHEMBL11965744 | 0.66 | — | — |
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-5633268-A | FUNGICIDES, INSECTICIDES, PESTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-27 | — | — | US | disclosed |