⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20342196 | 0.79 | — | — | |
| SCHEMBL24961660 | 0.70 | OPRM1 (0.34) | — | |
| SCHEMBL15308692 | 0.70 | OPRM1 (0.34) | — | |
| SCHEMBL16489100 | 0.69 | HTT (0.32) | — | |
| SCHEMBL4547461 | 0.68 | — | — | |
| SCHEMBL27383982 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL16489101 | 0.68 | — | — | |
| SCHEMBL17933280 | 0.68 | — | — | |
| SCHEMBL16489098 | 0.68 | APLNR (0.37) | — | |
| SCHEMBL21563123 | 0.68 | APLNR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9493438-B2 | 4,4-difluoro-piperidine-compounds | ROTTAPHARM S.R.L. (IT) | 2016-11-15 | — | — | US | disclosed |
| US-20150051226-A1 | 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS | ROTTAPHARM S.P.A. (IT) | 2015-02-19 | — | — | US | disclosed |