⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20002806 | 0.73 | SLC22A12 (0.32) | — | |
| SCHEMBL20003145 | 0.67 | RORC (0.35) | — | |
| SCHEMBL20002788 | 0.67 | RORC (0.36) | — | |
| SCHEMBL16886251 | 0.64 | RORC (0.35) | — | |
| SCHEMBL19204657 | 0.64 | TAAR1 (0.43) | — | |
| SCHEMBL15946072 | 0.64 | TAAR1 (0.34) | — | |
| SCHEMBL18213803 | 0.63 | RIPK1 (0.38) | — | |
| SCHEMBL20002935 | 0.62 | — | — | |
| SCHEMBL9336 | 0.62 | SELL (0.33) | — | |
| SCHEMBL12428890 | 0.62 | SELL (0.33) | — |
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 |