⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13335303 | 0.78 | ADRA2A (0.36) | — | |
| SCHEMBL20063344 | 0.78 | ALOX5AP (0.35) | — | |
| SCHEMBL18878173 | 0.78 | HDAC6 (0.32) | — | |
| SCHEMBL18724769 | 0.76 | ERN1 (0.36) | — | |
| SCHEMBL17809507 | 0.74 | MAPT (0.48) | — | |
| SCHEMBL20096025 | 0.72 | LRRK2 (0.36) | — | |
| SCHEMBL22593394 | 0.72 | HDAC6 (0.31) | — | |
| SCHEMBL18884431 | 0.72 | HDAC6 (0.31) | — | |
| SCHEMBL13896967 | 0.71 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL26149302 | 0.71 | KDM4E (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289833-A1 | TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2023-12-13 | — | — | EP | disclosed |
| WO-2021191359-A1 | MONOACYLGLYCEROL LIPASE MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2021-09-30 | — | — | WO | disclosed |
| WO-2019057112-A1 | 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-03-28 | — | — | WO | disclosed |
| WO-2018129008-A1 | COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS | ENTASIS THERAPEUTICS INC. (US) | 2018-07-12 | — | — | WO | disclosed |
| WO-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |
| US-20180098983-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2018-04-12 | — | — | US | disclosed |
| WO-2017172979-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE | ARAXES PHARMA LLC (US) | 2017-10-05 | — | — | WO | disclosed |