SCHEMBL5505469

SCHEMBL5505469

C=CCC(O)(CC=C)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.34
ACLY P53396 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
CPT2 P23786 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
SCHEMBL3774113 0.95 ALDH1A1 (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8771120 0.79 HSPD1 (0.37) ALDH1A1TSHRCPT2
SCHEMBL16438125 0.78 HMGCR (0.64) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1680225 0.78 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10974694 0.78 HMGCR (0.64) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL1071338 0.78 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL13347361 0.77 ALDH1A1 (0.38) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL909920 0.76 ALDH1A1 (0.61) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL880688 0.74 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6048123 0.74 TSHR (0.38) ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008169-A Refrigerator oil composition comprising saturated hydroxy fatty acids and derivatives thereof IDEMITSU KOSAN CO., LTD. (JP) 1999-12-28 US claimed
WO-2023133256-A1 PYRAZOLO[1,5-A]PYRIDIN-2,3-YL AMIDES AS KV7 CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (US) 2023-07-13 WO disclosed
US-20180072937-A1 ADDITIVE COMPOSITIONS FOR DRILLING FLUIDS AND METHODS FOR THEIR USE THE LUBRIZOL CORPORATION 2018-03-15 US disclosed
EP-3283596-A1 ADDITIVE COMPOSITIONS FOR DRILLING FLUIDS AND METHODS FOR THEIR USE The Lubrizol Corporation (US) 2018-02-21 EP disclosed
WO-2016168177-A1 ADDITIVE COMPOSITIONS FOR DRILLING FLUIDS AND METHODS FOR THEIR USE THE LUBRIZOL CORPORATION (US) 2016-10-20 WO disclosed
EP-1795072-B1 Agents containing carboxylic acid and the use of the same in plant cultivation BASF SE (DE) 2016-02-17 EP disclosed
WO-2016019216-A1 ADDITIVE COMPOSITION FOR WELL TREATMENT FLUIDS AND METHODS FOR THEIR USE THE LUBRIZOL CORPORATION (US) 2016-02-04 WO disclosed
EP-1795072-A2 Agents containing carboxylic acid and the use of the same in plant cultivation BASF AKTIENGESELLSCHAFT (DE) 2007-06-13 EP disclosed
EP-1531675-A1 AGENTS CONTAINING CARBOXYLIC ACID AND THE USE OF THE SAME IN PLANT CULTIVATION BASF AKTIENGESELLSCHAFT (DE) 2005-05-25 EP disclosed
WO-2004023875-A1 AGENTS CONTAINING CARBOXYLIC ACID AND THE USE OF THE SAME IN PLANT CULTIVATION BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 WO disclosed
EP-0802254-B1 Refrigerator oil composition IDEMITSU KOSAN CO (JP) 2003-07-09 EP disclosed
US-6008169-A Refrigerator oil composition comprising saturated hydroxy fatty acids and derivatives thereof IDEMITSU KOSAN CO., LTD. (JP) 1999-12-28 US disclosed
EP-0802254-A1 Refrigerator oil composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-10-22 EP disclosed