⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6647002 | 0.98 | CYP2A6 (0.53) | — | |
| Hydrochloric Acid SCHEMBL28088469 | 0.98 | CYP2A6 (0.53) | — | |
| SCHEMBL29422979 | 0.80 | CYP2A6 (0.60) | — | |
| SCHEMBL5138939 | 0.80 | CYP2A6 (0.60) | — | |
| Tert-Butyl Formate SCHEMBL28874118 | 0.80 | TDP1 (0.39) | — | |
| SCHEMBL31707267 | 0.77 | — | — | |
| SCHEMBL8013084 | 0.74 | ATM (0.44) | — | |
| SCHEMBL1925009 | 0.71 | CYP2A6 (1.00) | — | |
| SCHEMBL9806074 | 0.70 | IDO1 (0.40) | — | |
| SCHEMBL8802289 | 0.70 | DAO (0.47) | — |
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 434 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023172475-A2 | NON-AROMATIC CYCLIC-PYRIMIDINE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-09-14 | — | — | WO | claimed |
| CN-115322192-B | Pyrrolo [3,4-b ] pyridine derivative and synthetic method and application thereof | 重庆文理学院 | 2023-07-14 | — | — | CN | claimed |
| CN-115322192-A | Pyrrolo [3,4-b ] pyridine derivatives, and synthesis method and application thereof | 重庆文理学院 | 2022-11-11 | — | — | CN | claimed |
| CN-115010709-A | Synthesis method of pyrrolo [3,4-b ] pyridine-5, 7-dione | 厦门大学 | 2022-09-06 | — | — | CN | claimed |
| US-11186564-B2 | Dual NAV1.2/5HT2a inhibitors for treating CNS disorders | SUNOVION PHARMACEUTICALS INC. (US) | 2021-11-30 | — | — | US | claimed |
| US-10774076-B2 | Benzazole compounds and methods for making and using the compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2020-09-15 | — | — | US | claimed |
| CN-110475777-A | For treating and preventing new pyrido [2,3-b] benzazolyl compounds of bacterium infection | HOFFMANN LA ROCHE | 2019-11-19 | — | — | CN | claimed |
| CN-109790169-A | With the Cyanopyrolidine derivatives as USP30 inhibitor activity | 特殊治疗有限公司 | 2019-05-21 | — | — | CN | claimed |
| CN-107235975-B | The synthetic method of tert-butyl 6- benzyl -4- oxygen subunit octahydro -1H- pyrrolo- [3,4-b] picolinic acid ester | 天津药明康德新药开发有限公司 | 2019-04-30 | — | — | CN | claimed |
| CN-109415365-A | Carbapenem compounds | 幽兰医药有限公司 | 2019-03-01 | — | — | CN | claimed |
| CN-104620104-B | Affinity Reagents for Protein Purification | 非凡食品有限公司 | 2017-03-01 | — | — | CN | claimed |
| US-20170037041-A1 | BENZAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2017-02-09 | — | — | US | claimed |
| WO-2017023941-A1 | BENZAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2017-02-09 | — | — | WO | claimed |
| EP-2970215-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-20 | — | — | EP | claimed |
| WO-2014140310-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-09-18 | — | — | WO | claimed |
| EP-2611804-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | Forma TM, LLC. (US) | 2013-07-10 | — | — | EP | claimed |
| WO-2012031197-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | FORMA THERAPEUTICS, INC. (US) | 2012-03-08 | — | — | WO | claimed |
| CN-1869036-A | 7-substituted-3-chloro pyrrolo [3,4-b] pyridine compound | CHINA MEDICINE UNIV (CN) | 2006-11-29 | — | — | CN | claimed |
| EP-1453832-A1 | RING FUSED PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2004-09-08 | — | — | EP | claimed |
| WO-2003048160-A1 | RING FUSED PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-12 | — | — | WO | claimed |