⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116643 | 0.78 | — | — | |
| SCHEMBL2333430 | 0.71 | CCR1 (0.46) | — | |
| SCHEMBL15624381 | 0.69 | CCR1 (0.46) | — | |
| SCHEMBL25053998 | 0.69 | ALOX5 (0.33) | — | |
| SCHEMBL361283 | 0.67 | — | — | |
| SCHEMBL4263371 | 0.67 | — | — | |
| SCHEMBL17184335 | 0.67 | CYP3A4 (0.58) | — | |
| SCHEMBL3552924 | 0.67 | KDM4E (0.46) | — | |
| SCHEMBL29951313 | 0.67 | — | — | |
| SCHEMBL7407063 | 0.67 | — | — |
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-4180395-A | HERBICIDES | THE DOW CHEMICAL COMPANY (US) | 1979-12-25 | — | — | US | disclosed |