⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11590484 | 0.92 | NAAA (0.47) | — | |
| SCHEMBL10901082 | 0.88 | DGKA (0.38) | — | |
| SCHEMBL317392 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL6890414 | 0.85 | MCL1 (0.43) | — | |
| SCHEMBL13717269 | 0.85 | NAAA (0.48) | — | |
| SCHEMBL2855420 | 0.85 | NAAA (0.59) | — | |
| SCHEMBL9019593 | 0.84 | NAAA (0.62) | — | |
| SCHEMBL224044 | 0.84 | NAAA (0.62) | — | |
| SCHEMBL1960270 | 0.84 | NAAA (0.62) | — | |
| SCHEMBL634649 | 0.84 | NAAA (0.62) | — |
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 335 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250346555-A1 | METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE | HUNAN XIANGZHONG PHARMACEUTICAL CO LTD (CN) | 2025-11-13 | — | — | US | claimed |
| CN-120136757-A | Synthesis method of 6-hydroxy-2-azaspiro [3.3] heptane compounds | 浙江中科创越药业有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-115151527-B | Process for the preparation of cyanoacetic esters | 汉高股份有限及两合公司 | 2025-05-13 | — | — | CN | claimed |
| CN-119954709-A | Preparation method of sulfoxide compound, aniline compound and preparation method of aniline compound | 帕潘纳(北京)科技有限公司 | 2025-05-09 | — | — | CN | claimed |
| WO-2025062312-A1 | ONE-POT PROCESS FOR THE PREPARATION OF GABAPENTIN INTERMEDIATE | GRANULES INDIA LIMITED (IN) | 2025-03-27 | — | — | WO | claimed |
| CN-119661371-A | Preparation method of 2-fluoro-4-methylaniline | 帕潘纳(北京)科技有限公司 | 2025-03-21 | — | — | CN | claimed |
| CN-119285496-A | Preparation method and preparation system of cyanoenoate | 黄冈美丰化工科技有限公司 | 2025-01-10 | — | — | CN | claimed |
| CN-116621732-B | 2-Cyano-2-valproate and preparation method and application thereof | 湖南大学 | 2024-12-24 | — | — | CN | claimed |
| CN-118373735-A | Valproic acid prepared by cyanoacetic acid ester method | 湖南省湘中制药有限公司 | 2024-07-23 | — | — | CN | claimed |
| CN-112441900-B | Preparation method of 4-felbinac | 浙江中科创越药业有限公司 | 2024-07-23 | — | — | CN | claimed |
| CN-101811983-A | Preparation method of 2,3-diisopropyl-2-cyano diethyl succinate compound | CHINA PETROLEUM & CHEMICAL | 2010-08-25 | — | — | CN | claimed |
| CN-101811982-A | 2,3-diisopropyl-2.3-dicyano-diethyl succinate compound, preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2010-08-25 | — | — | CN | claimed |
| US-6828291-B2 | Semi-solid compositions for removing cured product | LOCTITE (R&D) LIMITED (IE) | 2004-12-07 | — | — | US | claimed |
| US-6696552-B2 | AMIDATION BETWEEN PRIMARY AMINE AND ESTER HAVING ELECTRON WITHDRAWING FUNCTIONALITY; CYCLIZATION WITH KETO ESTER | XEROX CORPORATION | 2004-02-24 | — | — | US | claimed |
| US-20040006234-A1 | PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS | XEROX CORPORATION | 2004-01-08 | — | — | US | claimed |
| US-20030130150-A1 | Semi- solid compositions for removing cured product | LOCTITE (R&D) LIMITED (IE) | 2003-07-10 | — | — | US | claimed |
| WO-2001092430-A1 | SEMI-SOLID COMPOSITIONS FOR REMOVING CURED PRODUCT | LOCTITE (R & D) LIMITED (IE) | 2001-12-06 | — | — | WO | claimed |
| EP-0672651-B1 | Process for the preparation of 4-fluoroalkoxycinnamonitriles | CLARIANT GMBH (DE) | 1998-12-09 | — | — | EP | claimed |
| US-5569776-A | Process for the preparation of 4-fluoroalkoxycinnamonitriles | HOECHET AG (DE) | 1996-10-29 | — | — | US | claimed |
| US-4804715-A | CROSSLINKING A POLYCYANOACETIC-FUNCTIONAL POLYMER WITH A POLY-A,B-UNSATURATED ESTER USING A METAL CARBOXYLATE CATALYST | COOK PAINT AND VARNISH COMPANY (US) | 1989-02-14 | — | — | US | claimed |