⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25478261 | 0.84 | CA12 (0.39) | — | |
| SCHEMBL21029574 | 0.83 | CA12 (0.47) | — | |
| SCHEMBL21263736 | 0.81 | — | — | |
| SCHEMBL18746545 | 0.79 | — | — | |
| SCHEMBL25480677 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL19360381 | 0.78 | — | — | |
| SCHEMBL25479593 | 0.74 | CA12 (0.36) | — | |
| SCHEMBL21573866 | 0.73 | — | — | |
| SCHEMBL11753890 | 0.72 | CHRM2 (0.43) | — | |
| SCHEMBL15091 | 0.72 | CA12 (0.52) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289835-A1 | CDK INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |
| EP-3423435-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2023-08-23 | — | — | EP | disclosed |
| EP-4223759-A1 | PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | Broadenbio Co., Ltd. (CN) | 2023-08-09 | — | — | EP | disclosed |
| WO-2023146990-A1 | COMPOUNDS AND METHODS OF USE | TANGO THERAPEUTICS, INC. (US) | 2023-08-03 | — | — | WO | disclosed |
| WO-2023275333-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| WO-2023275336-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| WO-2023275337-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| WO-2022095904-A1 | PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 北京伯汇生物技术有限公司 | 2022-05-12 | — | — | WO | disclosed |
| EP-3828173-A1 | SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS | BioCryst Pharmaceuticals, Inc. (US) | 2021-06-02 | — | — | EP | disclosed |
| WO-2021057832-A1 | KRAS MUTANT PROTEIN INHIBITOR | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-04-01 | — | — | WO | disclosed |
| EP-3712150-A1 | MACROCYCLIC COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATIONS THEREOF | Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) | 2020-09-23 | — | — | EP | disclosed |
| EP-3035936-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2019-03-13 | — | — | EP | disclosed |
| WO-2018129405-A1 | SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE JOHNS HOPKINS UNIVERSITY (US) | 2018-07-12 | — | — | WO | disclosed |
| EP-2024360-B1 | SUBSTITUTED PYRAZOLOPYRIMIDINES | CEPHALON INC (US) | 2013-04-03 | — | — | EP | disclosed |
| EP-1682537-B1 | MODULATORS OF CELLULAR ADHESION | SARCODE BIOSCIENCE INC (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2007118137-A1 | BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2007-10-18 | — | — | WO | disclosed |