SCHEMBL532758

SCHEMBL532758

CCCC(C#N)CCC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3673710 0.91 TSHR (0.46)
SCHEMBL20530377 0.89 TSHR (0.43)
SCHEMBL30879536 0.89 TSHR (0.43)
SCHEMBL2182376 0.89 TSHR (0.43)
SCHEMBL464424 0.88
SCHEMBL573231 0.88
Water SCHEMBL573385 0.88 TSHR (0.37)
Water SCHEMBL573386 0.88
SCHEMBL19175930 0.87 TSHR (0.32)
SCHEMBL20758295 0.87

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE HUNAN XIANGZHONG PHARMACEUTICAL CO LTD (CN) 2025-11-13 US claimed
CN-119930467-A Preparation method of 2-cyano-2-propyl valerate and valproic acid 湖南省湘中制药有限公司 2025-05-06 CN claimed
CN-118388335-A Method for controlling impurities in valproic acid 湖南省湘中制药有限公司 2024-07-26 CN claimed
WO-2023221851-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE 湖南省湘中制药有限公司 2023-11-23 WO claimed
CN-116143586-A Preparation method of 2-ethyl-2-methyl valeric acid 上海青平药业有限公司 2023-05-23 CN claimed
CN-114763319-B Method for co-producing valproamide and sodium valproate 湖南大学 2023-03-31 CN claimed
CN-114763319-A Method for co-producing valproamide and sodium valproate 湖南大学 2022-07-19 CN claimed
US-8895478-B2 Degradable polymer compositions and uses thereof ISP INVESTMENTS INC. (US) 2014-11-25 US claimed
US-20120157352-A1 DEGRADABLE POLYMER COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2012-06-21 US claimed
EP-2414456-A1 DEGRADABLE POLYMER COMPOSITIONS AND USES THEREOF Isp Investments Inc. (US) 2012-02-08 EP claimed
US-5075486-A Heating N-/1-propyl-n-butyl/formamide in absence of oxygen wit h alkali metal/silica gel catalyst SANOFI (FR) 1991-12-24 US claimed
EP-0308325-B1 PROCESS FOR THE PREPARATION OF DI-N-PROPYL ACETONITRILE SANOFI (FR) 1991-12-11 EP claimed
EP-0087712-B1 METHOD FOR THE PREPARATION OF 3-CYANO-2-ALKYL ALKANALS AND USE OF 3-CYANO-2-ETHYL HEXANAL IN THE PREPARATION OF 2-PROPYLPENTANOIC ACID BASF Aktiengesellschaft (DE) 1986-05-07 EP claimed
EP-0030528-B1 PROCESS FOR THE INTRODUCTION OF ALKYL, ARALKYL OR CYCLOALKYL GROUPS ONTO A FUNCTIONAL GROUP-SUBSTITUTED CARBON CHAIN SANOFI S.A. (FR) 1983-06-22 EP claimed
US-RE31260-E Process for the preparation of an acetonitrile derivative LABAZ (FR) 1983-05-31 US claimed
US-4377533-A PROPYLATION OF NITRILES SANOFI (FR) 1983-03-22 US claimed
EP-0030528-A1 Process for the introduction of alkyl, aralkyl or cycloalkyl groups onto a functional group-substituted carbon chain SANOFI S.A. (FR) 1981-06-17 EP claimed
US-4155929-A Process for the preparation of an acetonitrile derivative LABAZ (FR) 1979-05-22 US claimed
US-4127607-A DIPROPYLACETAMIDE BY ACID HYDROLYSIS OF DIPROPYLACETONITRILE WITH SULFURIC ACID LABAZ (FR) 1978-11-28 US claimed
US-4127604-A Process for the preparation of acetic acid derivatives LABAZ (FR) 1978-11-28 US claimed