⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9736111 | 0.78 | CYP3A4 (0.32) | — | |
| SCHEMBL11605586 | 0.65 | CYP3A4 (0.32) | — | |
| SCHEMBL8892656 | 0.64 | — | — | |
| SCHEMBL8893181 | 0.62 | CYP3A4 (0.33) | — | |
| SCHEMBL8909505 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL8894328 | 0.61 | CASP3 (0.50) | — | |
| SCHEMBL11606209 | 0.60 | CYP3A4 (0.31) | — | |
| SCHEMBL6019516 | 0.58 | MAPT (0.33) | — | |
| SCHEMBL11238555 | 0.58 | GRM2 (0.48) | — | |
| SCHEMBL11997297 | 0.58 | CHRM2 (0.46) | — |
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-4138495-A | N-Substituted pyrrolidones and their use as miticides | STAUFFER CHEMICAL COMPANY (US) | 1979-02-06 | — | — | US | disclosed |