⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29421562 | 1.00 | — | — | |
| SCHEMBL3138385 | 0.97 | ALDH1A1 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28164484 | 0.97 | ALDH1A1 (0.40) | — | |
| Fluoride SCHEMBL27656662 | 0.97 | ALDH1A1 (0.40) | — | |
| Cyanide SCHEMBL28824673 | 0.93 | ALDH1A1 (0.37) | — | |
| Formic Acid SCHEMBL28032861 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL29468034 | 0.81 | TNKS2 (0.43) | — | |
| SCHEMBL22778153 | 0.81 | TNKS2 (0.43) | — | |
| SCHEMBL257139 | 0.79 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28308569 | 0.78 | ALDH1A1 (0.38) | — |
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 1185 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003340-B | Phenanthrene nitrile organic light-emitting compound and preparation method and application thereof | 广东工业大学 | 2024-11-19 | — | — | CN | claimed |
| CN-118955276-A | Preparation method of 2-bromo-5-hydroxybenzoic acid | 舞阳威森生物医药有限公司 | 2024-11-15 | — | — | CN | claimed |
| CN-117902967-B | Synthesis method of m-phenoxy benzaldehyde | 江苏格涞思工业科技集团有限公司 | 2024-10-22 | — | — | CN | claimed |
| CN-117902967-A | Synthesis method of m-phenoxy benzaldehyde | 江苏格涞思工业科技集团有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-116003340-A | Phenanthrene nitrile organic light-emitting compound and preparation method and application thereof | 广东工业大学 | 2023-04-25 | — | — | CN | claimed |
| CN-112573990-B | Preparation method of 4-halogenated-3-fluorotoluene | 沈阳中化农药化工研发有限公司 | 2022-05-06 | — | — | CN | claimed |
| CN-1810775-B | Preparation process of 4-amino-2-trifluoromethyl benzonitrile | BAOQING TANG | 2012-05-09 | — | — | CN | claimed |
| US-7160881-B2 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 λ6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. (US) | 2007-01-09 | — | — | US | claimed |
| CN-1810775-A | Novel method for preparing 4-amino-2-trifluoromethyl benzonitrile | TANG BAOQING (CN) | 2006-08-02 | — | — | CN | claimed |
| US-20040186100-A1 | Crystalline modifications of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1 lambda 6-thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide | HOFFMANN-LA ROCHE INC. | 2004-09-23 | — | — | US | claimed |
| EP-0647614-B1 | Process for the préparation of 5-fluoro anthranilic acid | HOECHST AG (DE) | 1997-06-04 | — | — | EP | claimed |
| US-5523472-A | Process for the preparation of 5-fluoroanthranilic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-04 | — | — | US | claimed |
| EP-0647614-A1 | Process for the préparation of 5-fluoro anthranilic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-12 | — | — | EP | claimed |
| JP-7165687-A | — | — | None | — | — | JP | disclosed |
| EP-3897833-B1 | INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMA (US) | 2026-02-04 | — | — | EP | disclosed |
| US-12421228-B2 | Naphthyridine derivatives as PRC2 inhibitors | Mirati Therapeutics, Inc. (US) | 2025-09-23 | — | — | US | disclosed |
| EP-0034415-B1 | 1-(CYCLOHEXYL OR CYCLOHEXENYL)-4-ARYL-4-PIPERIDINECARBOXYLIC ACID DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-05-30 | — | — | EP | disclosed |
| US-4369184-A | ANTIHISTAMINES; HETEROCYCLIC NITRILES | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-01-18 | — | — | US | disclosed |
| EP-0034415-A1 | 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-08-26 | — | — | EP | disclosed |
| US-3960961-A | 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof | THE UPJOHN COMPANY (US) | 1976-06-01 | — | — | US | disclosed |