⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3718176 | 0.72 | — | — | |
| SCHEMBL28026244 | 0.72 | — | — | |
| SCHEMBL28183997 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL15149 | 0.69 | — | — | |
| SCHEMBL11334103 | 0.69 | — | — | |
| SCHEMBL16694847 | 0.69 | — | — | |
| SCHEMBL7841754 | 0.69 | — | — | |
| SCHEMBL21452448 | 0.67 | KCNH2 (0.36) | — | |
| SCHEMBL25867853 | 0.67 | — | — | |
| SCHEMBL1146945 | 0.67 | — | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109643752-A | FLEXIBLE PIEZOELECTRIC AND FERROELECTRIC HALOIMIDAZOLE CRYSTALS | 西北大学 | 2019-04-16 | — | — | CN | claimed |
| CN-116059968-B | Metal organic framework material for propane adsorption and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-09-03 | — | — | CN | disclosed |
| US-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2024-01-18 | — | — | US | disclosed |
| EP-4289833-A1 | TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2023-12-13 | — | — | EP | disclosed |
| EP-4273146-A1 | TRICYCLIC COMPOUND AND USE THEREOF | Nanjing Zaiming Pharmaceutical Co., Ltd. (CN) | 2023-11-08 | — | — | EP | disclosed |
| US-20230279052-A1 | PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES | STEALTH BIOTHERAPEUTICS INC. | 2023-09-07 | — | — | US | disclosed |
| WO-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| US-20230219970-A1 | DIHYDROCHROMENE DERIVATIVES | Sumitomo Pharma Co., Ltd. (JP) | 2023-07-13 | — | — | US | disclosed |
| CN-116059968-A | Metal organic framework material for propane adsorption and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-05-05 | — | — | CN | disclosed |
| US-11639357-B2 | Dihydrochromene derivatives | Sumitomo Pharma Co., Ltd. (JP) | 2023-05-02 | — | — | US | disclosed |
| CN-106536507-A | 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use | 里格尔药品股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| WO-2017030814-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS | Arvinas, Inc. (US) | 2017-02-23 | — | — | WO | disclosed |
| WO-2016205460-A1 | POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS | NANTBIOSCIENCE, INC. (US) | 2016-12-22 | — | — | WO | disclosed |
| CN-104619709-B | Imidazopyridine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105814055-A | Fused imidazole and pyrazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-102791713-B | Imidazo [1,2-A ] pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases | JANSSEN PHARMACEUTICA N.V. (BE) | 2016-02-03 | — | — | CN | disclosed |
| CN-102596961-B | Imidazo [1,2-b] pyridazine derivatives and the purposes as PDE10 inhibitor thereof | JANSSEN PHARMACEUTICA N.V. (BE) | 2015-12-02 | — | — | CN | disclosed |
| CN-104744491-A | Benzoxazepin Pi3k Inhibitor Compounds And Methods Of Use | HOFFMAN LA ROCHE AG | 2015-07-01 | — | — | CN | disclosed |
| CN-102762576-B | Benzoxazepine PI3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2015-04-22 | — | — | CN | disclosed |
| CN-102762576-A | Benzoxazepine PI3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |