⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861327 | 0.66 | CES2 (0.32) | — | |
| SCHEMBL9861424 | 0.62 | POLB (0.34) | — | |
| SCHEMBL9314843 | 0.59 | TP53 (0.31) | — | |
| SCHEMBL9861926 | 0.56 | — | — | |
| SCHEMBL9861494 | 0.56 | — | — | |
| SCHEMBL9861452 | 0.51 | — | — | |
| SCHEMBL5209905 | 0.51 | — | — | |
| SCHEMBL9861408 | 0.50 | SLC6A4 (0.30) | — | |
| SCHEMBL25314255 | 0.48 | — | — | |
| SCHEMBL3157668 | 0.45 | NR1H2 (0.42) | — |
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-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |