⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9579188 | 0.80 | — | — | |
| SCHEMBL223245 | 0.76 | — | — | |
| SCHEMBL7359692 | 0.67 | NOS1 (0.31) | — | |
| SCHEMBL11291716 | 0.65 | — | — | |
| SCHEMBL16211751 | 0.65 | — | — | |
| SCHEMBL14037291 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL15741751 | 0.64 | IRAK4 (0.32) | — | |
| SCHEMBL9579193 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL6318998 | 0.63 | — | — | |
| SCHEMBL21101464 | 0.62 | SMN1; SMN2 (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122010947-A | Antagonists of adenosine A2a receptors | 阿道尔克斯治疗有限公司 | 2026-05-12 | — | — | CN | disclosed |
| CN-115996929-A | Antagonists of adenosine A2a receptors | 阿道尔克斯治疗有限公司 | 2023-04-21 | — | — | CN | disclosed |
| US-9663469-B2 | RORγ modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-30 | — | — | US | disclosed |
| US-9663469-B2 | RORγ modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-30 | — | — | US | disclosed |
| US-9663469-B2 | RORγ modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-30 | — | — | US | disclosed |
| US-20160318870-A1 | RORy MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-03 | — | — | US | disclosed |
| US-20160318870-A1 | RORy MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-03 | — | — | US | disclosed |
| US-20160318870-A1 | RORy MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-03 | — | — | US | disclosed |
| EP-3044219-A1 | RORGAMMA MODULATORS | Bristol-Myers Squibb Company (US) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015035278-A1 | RORγ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-12 | — | — | WO | disclosed |
| WO-2015035278-A1 | RORγ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-12 | — | — | WO | disclosed |