⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29751851 | 1.00 | — | — | |
| SCHEMBL4316048 | 1.00 | KDM4E (0.43) | — | |
| Hexane SCHEMBL29278012 | 0.85 | RAB9A (0.46) | — | |
| SCHEMBL968383 | 0.80 | CYP2A6 (0.52) | — | |
| Pivalate SCHEMBL28998786 | 0.80 | ALDH1A1 (0.47) | — | |
| Tert-Butyl Formate SCHEMBL29179539 | 0.78 | TDP1 (0.43) | — | |
| SCHEMBL16345456 | 0.75 | MAPT (0.47) | — | |
| SCHEMBL21290367 | 0.71 | ALOX5AP (0.34) | — | |
| SCHEMBL16841 | 0.71 | — | — | |
| SCHEMBL29362784 | 0.71 | — | — |
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
Appears in 3504 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115477608-B | Tubulin inhibitor and preparation method and application thereof | 成都贝诺科成生物科技有限公司 | 2023-12-12 | — | — | CN | claimed |
| CN-114516832-B | Tubulin inhibitor and preparation method and application thereof | 成都贝诺科成生物科技有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-115490729-A | Pyridyl phosphine oxide blue light thermal excitation delay fluorescent material, synthetic method and application thereof | 黑龙江大学 | 2022-12-20 | — | — | CN | claimed |
| CN-115477608-A | Tubulin inhibitor and preparation method and application thereof | 成都贝诺科成生物科技有限公司 | 2022-12-16 | — | — | CN | claimed |
| CN-114516832-A | Tubulin inhibitor and preparation method and application thereof | 成都贝诺科成生物科技有限公司 | 2022-05-20 | — | — | CN | claimed |
| CN-111302968-B | Synthesis method of amide nitrogen trifluoromethyl compound | 中国科学院上海有机化学研究所 | 2021-06-08 | — | — | CN | claimed |
| CN-111302968-A | Synthesis method of amide nitrogen trifluoromethyl compound | 中国科学院上海有机化学研究所 | 2020-06-19 | — | — | CN | claimed |
| CN-111244543-A | High-voltage lithium ion battery electrolyte additive, electrolyte, battery and formation method thereof | 松山湖材料实验室 | 2020-06-05 | — | — | CN | claimed |
| CN-107759563-B | Preparation method of 4- (6-substituted aminopyridine-3-yl) piperidine-1-tert-butyl formate | 上海再启生物技术有限公司 | 2020-06-02 | — | — | CN | claimed |
| CN-107759563-A | A kind of preparation method of 4 (base of 6 substituted amido pyridine 3) piperidinyl-1 t-butyl formates | 上海再启生物技术有限公司 | 2018-03-06 | — | — | CN | claimed |
| CN-103980272-B | A kind of method of synthesis 5-cyano group-1H-pyrazolo [3,4-b] pyridine | HAIMEN RUIYI PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2016-02-17 | — | — | CN | claimed |
| CN-103980272-A | Method for synthesis of 5-cyano-1H-pyrazolo[3,4-b]pyridine | HAIMEN RUIYI MEDICAL TECHNOLOGY CO LTD | 2014-08-13 | — | — | CN | claimed |
| US-20100105912-A1 | FLUORO-CONTAINING DERIVATIVES OF HYDROGENATED PYRIDO[4,3-b]INDOLES WITH NEUROPROTECTIVE AND COGNITION ENHANCING PROPERTIES, PROCESS FOR PREPARING, AND USE | D2E, LLC (US) | 2010-04-29 | — | — | US | claimed |
| CN-120476110-B | Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof | SHANGHAI HANSOH BIOMEDICAL Co.,Ltd. (CN) | 2026-05-26 | — | — | CN | disclosed |
| US-12636290-B2 | BET inhibitors for modulating DUX4 expression in FSHD | SAINT LOUIS UNIVERSITY (US) | 2026-05-26 | — | — | US | disclosed |
| EP-4745134-A1 | PROTEIN ARGINASE METHYLTRANSFERASE-5 INHIBITOR AND MEDICAL USE THEREOF | Jiangsu Yahong Meditech Co., Ltd. (CN) | 2026-05-20 | — | — | EP | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |
| US-4822887-A | Preparation of difluoropyridine compounds | THE DOW CHEMICAL COMPANY (US) | 1989-04-18 | — | — | US | disclosed |
| EP-0146924-A2 | Preparation of difluorpyridine compounds | THE DOW CHEMICAL COMPANY (US) | 1985-07-03 | — | — | EP | disclosed |
| US-3947457-A | Method for preparing 2,5-dihalo- and 2,5,6-trihalopyridines | THE DOW CHEMICAL COMPANY (US) | 1976-03-30 | — | — | US | disclosed |