⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17233960 | 0.75 | — | — | |
| SCHEMBL1768217 | 0.73 | — | — | |
| SCHEMBL14245146 | 0.73 | — | — | |
| SCHEMBL14222012 | 0.73 | — | — | |
| SCHEMBL14827196 | 0.72 | COMT (0.61) | — | |
| Hydrochloric Acid SCHEMBL13386456 | 0.71 | CA12 (0.57) | — | |
| Bromide SCHEMBL2395266 | 0.71 | CA12 (0.52) | — | |
| SCHEMBL15417770 | 0.71 | CA12 (0.47) | — | |
| SCHEMBL12767220 | 0.70 | CA12 (0.46) | — | |
| SCHEMBL15417324 | 0.70 | CA12 (0.46) | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023020479-A1 | PARP7 INHIBITOR AND APPLICATION THEREOF | 重庆华森制药股份有限公司 | 2023-02-23 | — | — | WO | disclosed |
| WO-2020020288-A1 | SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 正大天晴药业集团股份有限公司 | 2020-01-30 | — | — | WO | disclosed |
| WO-2019137201-A1 | HETEROARYLO TETRAHYDROPYRIDINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-18 | — | — | WO | disclosed |
| US-20170210728-A1 | Cannabinergic Nitrate Esters And Related Analogs | NORTHEASTERN UNIVERSITY | 2017-07-27 | — | — | US | disclosed |
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |
| US-9580400-B2 | Cannabinergic nitrate esters and related analogs | NORTHEASTERN UNIVERSITY (US) | 2017-02-28 | — | — | US | disclosed |
| US-9527828-B2 | Method for expanding hematopoietic stem cells using heterocyclic compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2016-12-27 | — | — | US | disclosed |
| US-9527828-B2 | Method for expanding hematopoietic stem cells using heterocyclic compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2016-12-27 | — | — | US | disclosed |
| EP-2218716-B1 | METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND | NISSAN CHEMICAL IND LTD (JP) | 2016-11-16 | — | — | EP | disclosed |
| US-9399651-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | Merck, Sharp & Dohme Corp. (US) | 2016-07-26 | — | — | US | disclosed |
| US-8022208-B2 | Benzene derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-09-20 | — | — | US | disclosed |
| WO-2010140685-A1 | HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER | 日産化学工業株式会社 (JP) | 2010-12-09 | — | — | WO | disclosed |
| US-20100266556-A1 | METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 2010-10-21 | — | — | US | disclosed |
| US-20100266556-A1 | METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 2010-10-21 | — | — | US | disclosed |
| EP-2218716-A1 | METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2010-08-18 | — | — | EP | disclosed |
| US-20090054352-A1 | BENZENE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-02-26 | — | — | US | disclosed |
| US-20090054352-A1 | BENZENE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-02-26 | — | — | US | disclosed |
| US-20080242706-A1 | Fluorinated derivatives of deferiprone | APOTEX TECHNOLOGIES INC. | 2008-10-02 | — | — | US | disclosed |
| EP-1947086-A1 | BENZENE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-07-23 | — | — | EP | disclosed |
| EP-1490371-B1 | THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL MYERS SQUIBB CO (US) | 2007-08-15 | — | — | EP | disclosed |