⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22971383 | 0.80 | HTR3A (0.40) | — | |
| SCHEMBL12495647 | 0.74 | NOS3 (0.35) | — | |
| SCHEMBL12497287 | 0.73 | GRM5 (0.35) | — | |
| SCHEMBL15357781 | 0.73 | TRPM8 (0.41) | — | |
| SCHEMBL12410783 | 0.73 | ACP1 (0.33) | — | |
| SCHEMBL15286462 | 0.73 | PIM2 (0.39) | — | |
| SCHEMBL25429171 | 0.73 | CYP11B1 (0.34) | — | |
| SCHEMBL110425 | 0.73 | — | — | |
| SCHEMBL6658388 | 0.71 | — | — | |
| SCHEMBL12164039 | 0.71 | GRM5 (0.34) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4509122-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF | Bayer Aktiengesellschaft (DE) | 2025-02-19 | — | — | EP | disclosed |
| EP-4188930-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF | BAYER AG (DE) | 2024-10-23 | — | — | EP | disclosed |
| US-20230391769-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2023-12-07 | — | — | US | disclosed |
| EP-4188930-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF | Bayer Aktiengesellschaft (DE) | 2023-06-07 | — | — | EP | disclosed |
| US-10597399-B2 | Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-03-24 | — | — | US | disclosed |
| US-9938292-B2 | Quinoline derivatives as SMO inhibitors | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-04-10 | — | — | US | disclosed |
| US-9938292-B2 | Quinoline derivatives as SMO inhibitors | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-04-10 | — | — | US | disclosed |
| US-20170174703-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-06-22 | — | — | US | disclosed |
| US-20170174703-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-06-22 | — | — | US | disclosed |
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |
| US-9255106-B2 | Substituted [1,2,4]triazolo[4,3-a]pyrazines as PARP-1 inhibitors | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2016-02-09 | — | — | US | disclosed |
| WO-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |
| US-20150166544-A1 | PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) | 2015-06-18 | — | — | US | disclosed |
| US-20150166544-A1 | PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) | 2015-06-18 | — | — | US | disclosed |
| EP-2881395-A1 | PIPERAZINOTRIZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2015-06-10 | — | — | EP | disclosed |
| EP-1583534-A4 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2007-08-29 | — | — | EP | disclosed |
| US-20060052382-A1 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. | 2006-03-09 | — | — | US | disclosed |
| EP-1583534-A1 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004058266-A1 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |