SCHEMBL11158159

SCHEMBL11158159

CCCC(C#N)(CCC)CCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL27485873 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10639136 0.87 TSHR (0.42) ALDH1A1TSHR
SCHEMBL27976419 0.87
SCHEMBL25729410 0.87 TSHR (0.42) ALDH1A1TSHR
SCHEMBL10638956 0.87
SCHEMBL17970303 0.84 TSHR (0.40) ALDH1A1TSHR
SCHEMBL27514404 0.83 FDPS (0.31)
SCHEMBL7616020 0.81 TSHR (0.41) ALDH1A1TSHR
SCHEMBL28081146 0.79 TSHR (0.39) TSHR
SCHEMBL25729159 0.79 TSHR (0.46) TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143658-A Method for simultaneously preparing tripropylacetonitrile, tripropylamide and tripropylacetic acid 上海青平药业有限公司 2023-05-23 CN 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-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
CN-118373735-B Valproic acid prepared by cyanoacetic acid ester method 湖南省湘中制药有限公司 2025-02-21 CN disclosed
US-20250019250-A1 SYNTHESIS OF MFI FRAMEWORK TYPE ZEOLITES CHEVRON USA INC (US) 2025-01-16 US disclosed
WO-2025014797-A1 SYNTHESIS OF MFI FRAMEWORK TYPE ZEOLITES CHEVRON U.S.A. INC. (US) 2025-01-16 WO disclosed
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 disclosed
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 disclosed
CN-116874347-B Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2024-03-29 CN disclosed
CN-117074559-A Detection method for impurities in valproic acid prepared by methyl cyanoacetate method 湖南省湘中制药有限公司 2023-11-17 CN disclosed
CN-116874347-A Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2023-10-13 CN disclosed
CN-116143658-A Method for simultaneously preparing tripropylacetonitrile, tripropylamide and tripropylacetic acid 上海青平药业有限公司 2023-05-23 CN disclosed
CN-116143658-A Method for simultaneously preparing tripropylacetonitrile, tripropylamide and tripropylacetic acid 上海青平药业有限公司 2023-05-23 CN disclosed
CN-116143658-A Method for simultaneously preparing tripropylacetonitrile, tripropylamide and tripropylacetic acid 上海青平药业有限公司 2023-05-23 CN disclosed
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 disclosed
US-4377533-A PROPYLATION OF NITRILES SANOFI (FR) 1983-03-22 US disclosed
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 disclosed
US-3988472-A ANTICONVULSANTS, TRANQUILIZERS LABAZ (FR) 1976-10-26 US disclosed