⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16737911 | 0.80 | PDE10A (0.33) | — | |
| SCHEMBL18451300 | 0.80 | DGAT1 (0.32) | — | |
| SCHEMBL2502991 | 0.74 | — | — | |
| SCHEMBL31388853 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL14141944 | 0.73 | MBOAT4 (0.33) | — | |
| SCHEMBL19776346 | 0.70 | CA12 (0.37) | — | |
| SCHEMBL15265181 | 0.70 | MAPT (0.31) | — | |
| SCHEMBL17654225 | 0.69 | — | — | |
| SCHEMBL1404057 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL31388782 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137547-B | Heterocyclic compounds useful as TNF alpha modulators | 百时美施贵宝公司 | 2021-11-12 | — | — | CN | disclosed |
| US-10865191-B2 | Heterocyclic compounds useful as modulators of TNF alpha | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-12-15 | — | — | US | disclosed |
| US-20180222883-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | BRISTOL MYERS SQUIBB CO (US) | 2018-08-09 | — | — | US | disclosed |
| US-20180222883-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | BRISTOL MYERS SQUIBB CO (US) | 2018-08-09 | — | — | US | disclosed |
| EP-3331871-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | Bristol-Myers Squibb Company (US) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017023905-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-09 | — | — | WO | disclosed |