⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13344473 | 0.80 | POLB (0.35) | — | |
| SCHEMBL13200340 | 0.80 | — | — | |
| SCHEMBL20003186 | 0.79 | APLNR (0.31) | — | |
| SCHEMBL16892274 | 0.78 | GRM2 (0.35) | — | |
| SCHEMBL10285359 | 0.76 | CETP (0.38) | — | |
| SCHEMBL20002088 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL20342461 | 0.75 | CYP2D6 (0.38) | — | |
| SCHEMBL10283224 | 0.74 | CETP (0.44) | — | |
| SCHEMBL20002225 | 0.71 | APLNR (0.38) | — | |
| SCHEMBL10783838 | 0.69 | CETP (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |