⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16892240 | 0.78 | POLB (0.31) | — | |
| SCHEMBL16887511 | 0.77 | POLB (0.30) | — | |
| SCHEMBL20002954 | 0.70 | — | — | |
| SCHEMBL16886380 | 0.67 | NR1I2 (0.31) | — | |
| SCHEMBL18828167 | 0.65 | EPHX1 (0.39) | — | |
| SCHEMBL16892254 | 0.65 | CETP (0.32) | — | |
| SCHEMBL22014553 | 0.65 | CYP2C19 (0.39) | — | |
| SCHEMBL16887699 | 0.64 | CETP (0.31) | — | |
| SCHEMBL22070489 | 0.63 | CYP4F2 (0.47) | — | |
| SCHEMBL17447467 | 0.63 | CYP2C19 (0.36) | — |
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 |