⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10337527 | 0.86 | — | — | |
| SCHEMBL10337805 | 0.84 | OPRM1 (0.30) | — | |
| SCHEMBL10337740 | 0.82 | NR5A1 (0.33) | — | |
| SCHEMBL10337754 | 0.78 | KDM1A (0.32) | — | |
| SCHEMBL10337718 | 0.76 | KDM1A (0.35) | — | |
| SCHEMBL10337714 | 0.74 | SLC10A2 (0.32) | — | |
| SCHEMBL10337698 | 0.73 | CHRM3 (0.32) | — | |
| SCHEMBL10337760 | 0.73 | CHRM3 (0.32) | — | |
| SCHEMBL10337647 | 0.73 | CHRM3 (0.32) | — | |
| SCHEMBL10337530 | 0.73 | CHRM3 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |