SCHEMBL1403009

SCHEMBL1403009

C=C(C)C(=O)OC.CC(=CCCN(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CD81 P60033 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
SCHEMBL4355629 0.87 TSHR (0.47) ALDH1A1TSHRCYP2D6CYP2C19
Methacrylic Acid SCHEMBL2640986 0.87 CD81 (0.34) CD81
SCHEMBL29664602 0.85 THRB (0.39) ALDH1A1TSHR
SCHEMBL12488315 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL30875818 0.83 CD81 (0.38) ALDH1A1CD81
SCHEMBL22600 0.83 CD81 (0.38) ALDH1A1CD81
SCHEMBL112617 0.83 CD81 (0.38) ALDH1A1CD81
SCHEMBL1326265 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP2D6CYP2C19CD81
SCHEMBL5148199 0.81 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP2C19
Bromide SCHEMBL1061720 0.81 CD81 (0.37) ALDH1A1CD81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291422-B1 PIGMENT DISPERSANTS WITH MODIFIED COPOLYMERS BASF SE (DE) 2015-10-21 EP disclosed
US-8664324-B2 Pigment dispersants with modified copolymers BASF SE (DE) 2014-03-04 US disclosed
US-20110144260-A1 PIGMENT DISPERSANTS WITH MODIFIED COPOLYMERS BASF SE (DE) 2011-06-16 US disclosed
EP-2291422-A1 PIGMENT DISPERSANTS WITH MODIFIED COPOLYMERS BASF SE (DE) 2011-03-09 EP disclosed
WO-2009156277-A1 PIGMENT DISPERSANTS WITH MODIFIED COPOLYMERS BASF SE (DE) 2009-12-30 WO disclosed
US-20080299391-A1 CAPSULES, METHODS FOR MAKING CAPSULES, AND SELF-HEALING COMPOSITES INCLUDING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2008-12-04 US disclosed
WO-2008148128-A2 CAPSULES, METHODS FOR MAKING CAPSULES, AND SELF-HEALING COMPOSITES INCLUDING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-04 WO disclosed
US-4310397-A SUSTAINED RELEASE; PREPARED BY IRRADIATION POLYMERIZATION JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1982-01-12 US disclosed