⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12462579 | 0.75 | — | — | |
| SCHEMBL21581979 | 0.71 | — | — | |
| SCHEMBL18232561 | 0.71 | — | — | |
| SCHEMBL1192437 | 0.71 | — | — | |
| SCHEMBL1565394 | 0.71 | — | — | |
| SCHEMBL13788205 | 0.69 | — | — | |
| SCHEMBL19859475 | 0.69 | — | — | |
| SCHEMBL9730144 | 0.67 | — | — | |
| SCHEMBL487409 | 0.67 | — | — | |
| SCHEMBL9319044 | 0.67 | — | — |
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 |