⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1137681 | 1.00 | — | — | |
| SCHEMBL14789351 | 1.00 | — | — | |
| SCHEMBL8719204 | 0.87 | MAPT (0.37) | — | |
| SCHEMBL30754357 | 0.85 | CES2 (0.36) | — | |
| SCHEMBL621701 | 0.85 | CES2 (0.36) | — | |
| SCHEMBL621700 | 0.85 | CES2 (0.36) | — | |
| SCHEMBL13235855 | 0.82 | — | — | |
| SCHEMBL10379597 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL10771982 | 0.80 | — | — | |
| SCHEMBL384060 | 0.80 | — | — |
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 5 patents. 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 |
| US-20160326108-A1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2016-11-10 | — | — | US | disclosed |
| US-9458171-B2 | Pyrrolidinyl sulfone RORγ modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150191483-A1 | PYRROLIDINYL SULFONE RORGAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-07-09 | — | — | US | disclosed |
| US-20110257401-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-20 | — | — | US | disclosed |