SCHEMBL4731097

SCHEMBL4731097

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4C Q9H3R0 1/20 0.31
ACLY P53396 2/20 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
SCHEMBL1547881 0.81 CYP2C19 (0.46) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL28887606 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
Ammonia Solution, Strong SCHEMBL19976105 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL5030692 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
Bicarbonate SCHEMBL18954885 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL8352054 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL27902708 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL10621210 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL20912559 0.79 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL997778 0.79 CYP2C19 (0.37) CYP2C19HIF1ATSHRCYP2D6HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059328-A1 One-component polyurethane foam compositions with improved curing behaviour HILTI Aktiengesellschaft (LI) 2000-12-13 EP claimed
EP-0734514-B1 TISSUE SAMPLE PROCESSING ESTI CHEM A S (DK) 1998-11-11 EP claimed
EP-3791853-B1 SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GMBH (DE) 2025-06-25 EP disclosed
EP-3791853-A1 SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GmbH (DE) 2021-03-17 EP disclosed
EP-3442491-B1 SURFACE MODIFIED EFFECT PIGMENT AND NAIL VARNISH COMPOSITION ECKART GMBH (DE) 2021-02-24 EP disclosed
EP-3738577-A1 SURFACE-MODIFIED EFFECT PIGMENTS ECKART GmbH (DE) 2020-11-18 EP disclosed
EP-3624755-A1 NAIL VARNISH COMPOSITION CONTAINING EMBOSSED EFFECT PIGMENTS AND SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GmbH (DE) 2020-03-25 EP disclosed
WO-2019077021-A1 NAIL VARNISH COMPOSITION CONTAINING EMBOSSED EFFECT PIGMENTS AND SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GMBH (DE) 2019-04-25 WO disclosed
EP-3442491-A1 SURFACE-MODIFIED EFFECT PIGMENT AND NAIL VARNISH COMPOSITION ECKART GmbH (DE) 2019-02-20 EP disclosed
WO-2017178610-A1 SURFACE-MODIFIED EFFECT PIGMENT AND NAIL VARNISH COMPOSITION ECKART GMBH (DE) 2017-10-19 WO disclosed
WO-2015142954-A1 METAL-ORGANIC FRAMEWORKS CHARACTERIZED BY HAVING A LARGE NUMBER OF ADSORPTION SITES PER UNIT VOLUME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-24 WO disclosed
WO-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed
US-20070048457-A1 Producing method of film having coated layer, film having coated layer, optical film, polarizing plate and liquid crystal display FUJI FILM CORPORATION (JP) 2007-03-01 US disclosed
EP-1059328-A1 One-component polyurethane foam compositions with improved curing behaviour HILTI Aktiengesellschaft (LI) 2000-12-13 EP disclosed