SCHEMBL1268268

SCHEMBL1268268

CCCC(C)(C#N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 1/20 0.30

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
Water SCHEMBL31742532 1.00 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL28593199 1.00 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2641565 0.87 CTSS (0.36) ALDH1A1MEN1KMT2ACTSSCTSK
SCHEMBL8742495 0.87 CTSS (0.36) ALDH1A1MEN1KMT2ACTSSCTSK
SCHEMBL8380007 0.84 CES2 (0.40) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL8378502 0.84 CES2 (0.40) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL19033746 0.81
SCHEMBL4850151 0.81
SCHEMBL28418333 0.80 ACLY (0.39) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL28596559 0.77 MEN1 (0.35) ALDH1A1MEN1KMT2ATHRBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1851196-B1 LACTAM PRODUCTION METHOD RHODIA CHIMIE SA (FR) 2010-12-01 EP claimed
EP-1851196-A1 LACTAM PRODUCTION METHOD RHODIA CHIMIE (FR) 2007-11-07 EP claimed
WO-2006090044-A1 LACTAM PRODUCTION METHOD RHODIA CHIMIE (FR) 2006-08-31 WO claimed
CN-121108013-A Recovery and application of 2-cyano-2-methyl valeric acid 湖南省湘中制药有限公司 2025-12-12 CN disclosed
CN-121108013-A Recovery and application of 2-cyano-2-methyl valeric acid 湖南省湘中制药有限公司 2025-12-12 CN disclosed
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 disclosed
CN-117430527-A Preparation method of 2-alkyl-2-cyano valerate 湖南省湘中制药有限公司 2024-01-23 CN disclosed
CN-113149823-B 2-R 1 Process for preparing valeric acid 上海青平药业有限公司 2023-12-08 CN disclosed
CN-116854578-A Preparation method of sodium valproate process impurity 2-methyl valeric acid 湖南省湘中制药有限公司 2023-10-10 CN disclosed
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 disclosed
CN-113149823-A 2-R1Preparation method of valeric acid 上海青平药业有限公司 2021-07-23 CN disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
EP-0315996-B1 Optically active compound, process for producing same and liquid crystal composition containing same CANON KK (JP) 1995-06-28 EP disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed
EP-0600950-A1 AMIDE TETRAZOLE ACAT INHIBITORS. WARNER LAMBERT CO (US) 1994-06-15 EP disclosed
WO-1993004052-A1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed
US-4999130-A Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1991-03-12 US disclosed
EP-0315996-A2 Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed