SCHEMBL1603820

SCHEMBL1603820

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.39
CPT2 P23786 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
ACLY P53396 1/20 0.36
FFAR3 O14843 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35

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
SCHEMBL27547581 0.81 GAA (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28914673 0.76 TSHR (0.46) ADRA1ATSHRALDH1A1CPT2TDP1
SCHEMBL3501612 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL1604921 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9952003 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL10940349 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL1572172 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL6700618 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL23772237 0.72 CYP2C19 (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL22965333 0.72 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113167018-A Fiber treatment agent 花王株式会社 2021-07-23 CN disclosed
WO-2020116599-A1 FIBER TREATMENT AGENT 花王株式会社 2020-06-11 WO disclosed
CN-107923128-B Thin sheet paper 花王株式会社 2019-02-15 CN disclosed
CN-107923128-A Thin sheet paper 花王株式会社 2018-04-17 CN disclosed
US-8506359-B2 Aqueous dispersion for chemical mechanical polishing and chemical mechanical polishing method JSR CORPORATION (JP) 2013-08-13 US disclosed
CN-101933124-B Aqueous dispersion for chemical mechanical polishing and chemical mechanical polishing method JSR CORP 2012-07-04 CN disclosed
US-20110081780-A1 AQUEOUS DISPERSION FOR CHEMICAL MECHANICAL POLISHING AND CHEMICAL MECHANICAL POLISHING METHOD JSR CORPORATION (JP) 2011-04-07 US disclosed
US-20110053462-A1 AQUEOUS DISPERSION FOR CHEMICAL MECHANICAL POLISHING AND CHEMICAL MECHANICAL POLISHING METHOD JSR CORPORATION (JP) 2011-03-03 US disclosed
CN-101933124-A Aqueous dispersion for chemical mechanical polishing and chemical mechanical polishing method JSR CORP 2010-12-29 CN disclosed
US-6780403-B1 DEODORANT INCLUDING ORGANIC DIBASIC ACID AND/OR ALKALI METAL, AMMONIUM, ZINC OR ALUMINUM SALT; ACID HAS DIFFERENCE BETWEEN FIRST AND SECOND ACID DISSOCIATION INDICES OF 1.7 OR MORE AT 25 DEGREES C. AND SECOND DISSOCIATION INDEX IS FROM 6 TO 8 KAO CORPORATION (JP) 2004-08-24 US disclosed
EP-1197204-A1 DEODORANTS Kao Corporation (JP) 2002-04-17 EP disclosed