⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20068398 | 0.81 | — | — | |
| SCHEMBL21217471 | 0.78 | L3MBTL1 (0.30) | — | |
| SCHEMBL12436094 | 0.77 | L3MBTL1 (0.33) | — | |
| SCHEMBL19005818 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL13515402 | 0.72 | — | — | |
| SCHEMBL18577812 | 0.72 | — | — | |
| SCHEMBL2617044 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL13165462 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL76462 | 0.69 | — | — | |
| SCHEMBL13165512 | 0.69 | MAPT (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018071314-A1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-19 | — | — | WO | disclosed |