⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20076467 | 0.69 | — | — | |
| SCHEMBL18146966 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL3232959 | 0.48 | KDM1A (0.36) | — | |
| SCHEMBL31491198 | 0.47 | CES2 (0.31) | — | |
| SCHEMBL646711 | 0.47 | TYMP (0.31) | — | |
| SCHEMBL42968 | 0.45 | GRIN2D (0.33) | — | |
| SCHEMBL31135227 | 0.45 | GRIN2D (0.33) | — | |
| SCHEMBL12394118 | 0.44 | — | — | |
| SCHEMBL3074590 | 0.44 | CES2 (0.33) | — | |
| SCHEMBL9664528 | 0.43 | LMNA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3283459-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2019-05-22 | — | — | EP | disclosed |