⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1585841 | 1.00 | — | — | |
| SCHEMBL21045448 | 0.86 | PIK3CD (0.41) | — | |
| SCHEMBL933680 | 0.80 | — | — | |
| SCHEMBL423198 | 0.80 | — | — | |
| Propionic Acid SCHEMBL20899133 | 0.79 | SIRT6 (0.40) | — | |
| SCHEMBL18192017 | 0.67 | SIRT6 (0.42) | — | |
| SCHEMBL2335264 | 0.65 | — | — | |
| SCHEMBL739153 | 0.65 | — | — | |
| SCHEMBL30971909 | 0.65 | — | — | |
| SCHEMBL617986 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4727652-A1 | (HETERO)ARYL-SULFONAMIDE COMPOUNDS AS MODULATORS OF GPR35 | ThirtyFiveBio Limited (GB) | 2026-04-22 | — | — | EP | disclosed |
| WO-2024256827-A1 | (HETERO)ARYL-SULFONAMIDE COMPOUNDS AS MODULATORS OF GPR35 | ThirtyFiveBio Limited (GB) | 2024-12-19 | — | — | WO | disclosed |
| CN-117836297-A | (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer | 国家化学成分收集和筛选中心 | 2024-04-05 | — | — | CN | disclosed |
| US-20240067636-A1 | PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS | Revolution Medicines, Inc. | 2024-02-29 | — | — | US | disclosed |
| CN-116745269-A | Dihydroquinazolin-2-one derivatives as selective cytotoxic agents for the treatment of HIV | 默沙东有限责任公司 | 2023-09-12 | — | — | CN | disclosed |
| US-11702411-B2 | Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors | Revolution Medicines, Inc. (US) | 2023-07-18 | — | — | US | disclosed |
| US-20230103507-A1 | METHOD FOR PREPARING 3,6-DICHLOROPYRAZINE-2-CARBONITRILE | NANJING CHEMPION BIOTECHNOLOGY CO.,LTD. (CN) | 2023-04-06 | — | — | US | disclosed |
| CN-115850240-A | Synthetic method of drug Olutascinonide for treating acute myeloid leukemia | 北京康立生医药技术开发有限公司 | 2023-03-28 | — | — | CN | disclosed |