SCHEMBL5144237

SCHEMBL5144237

C=C(C)C(=O)OCCC1(C(=O)O)C=CC=CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL8413314 0.74 TSHR (0.33) THRBTSHRPOLBAPEX1HTT
SCHEMBL3989228 0.72 THRB (0.34) THRBTSHRPOLBAPEX1HTT
SCHEMBL2026468 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30161740 0.71 THRB (0.38) THRBTSHRPOLBAPEX1HTT
SCHEMBL3033173 0.71 POLA1 (0.36) TSHRPOLBTDP1ALDH1A1
SCHEMBL8416394 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21526669 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1355698 0.68
SCHEMBL30161676 0.66 TSHR (0.44) THRBTSHRPOLBAPEX1HTT
Benzene SCHEMBL28145673 0.65 THRB (0.65) THRBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349779-B2 Polymers with h-bridge forming functionalities EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-01-08 US claimed
CN-105739003-A Polarizing plate 住友化学株式会社 2016-07-06 CN disclosed
CN-105739002-A Polarizing plate 住友化学株式会社 2016-07-06 CN disclosed
US-8933169-B2 Low water-absorption plastisol polymers Kaneka Belguim N.V. (BE) 2015-01-13 US disclosed
US-8722600-B2 Polymers with H-bridge forming functionalities for improving anti-wear protection EVONIK ROHMAX ADDITIVES GMBH (DE) 2014-05-13 US disclosed
US-20130222883-A1 DISPLAY PARTICLES, DISPLAY PARTICLE DISPERSION LIQUID, DISPLAY MEDIUM, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-08-29 US disclosed
US-8349779-B2 Polymers with h-bridge forming functionalities EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-01-08 US disclosed
US-20070259987-A1 Low Water-Absorption Plastisol Polymers ROEHM GMBH (DE) 2007-11-08 US disclosed
US-20070197409-A1 Polymers with h-bridge forming functionalities for improving anti-wear protection EVONIK DEGUSSA GMBH (DE) 2007-08-23 US disclosed
US-20070184993-A1 Polymers with h-bridge forming functionalities ROHMAX ADDITIVES GMBH (DE) 2007-08-09 US disclosed