2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL5969968

CCCCC(CC)C(=O)O.COc1ccc(C=CC(=O)OCC(O)CO)cc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
PPARA Q07869 1/20 0.41
GSK3B P49841 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
4-Methoxycinnamic Acid SCHEMBL910634 0.97 TDP1 (0.62) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
Octinoxate SCHEMBL6036126 0.89 TDP1 (0.76) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
4-Methoxycinnamic Acid SCHEMBL344148 0.87 TDP1 (0.55) TDP1TAS1R3TAS1R1LMNATHRB
4-Methoxycinnamic Acid SCHEMBL27805505 0.87 TDP1 (0.55) TDP1TAS1R3TAS1R1LMNATHRB
4-Methoxycinnamic Acid SCHEMBL4657863 0.87 TDP1 (0.55) TDP1TAS1R3TAS1R1LMNATHRB
SCHEMBL29203311 0.86 TDP1 (0.58) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
2-Ethylhexanoic Acid SCHEMBL9229510 0.86 TDP1 (0.48) TDP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5513071 0.85 TDP1 (0.61) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL4212357 0.85 TDP1 (0.61) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL4018855 0.83 TDP1 (0.67) TDP1TAS1R3TAS1R1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110168-A1 SILICATE MINERAL AND METHOD FOR PRODUCING SAME 株式会社スーパーナノデザイン 2025-05-30 WO disclosed
CN-101744733-B Organic-inorganic complex with uv-blocking effect, a preparation method thereof, and a use of the same WOONGJIN COWAY CO LTD 2013-01-23 CN disclosed
CN-101744733-A Organic-inorganic complex with uv-blocking effect, a preparation method thereof, and a use of the same WOONGJIN COWAY CO LTD 2010-06-23 CN disclosed
EP-0928608-B1 Cosmetic composition AJINOMOTO KK (JP) 2006-03-08 EP disclosed
US-6528068-B1 An oily material for cosmetic compositions which oily material is an N-long-chain acyl neutral amino acid ester containing a straight-chain or branched-chain, saturated or unsaturated acyl group having from 6 to 22 carbon atoms, where the AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
EP-0928608-A2 Cosmetic composition Ajinomoto Co., Inc. (JP) 1999-07-14 EP disclosed