SCHEMBL3985121

SCHEMBL3985121

O=C(O)C=CC1(C=CC(=O)O)CCCCC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.35
PRKCA P17252 2/20 0.32
INMT O95050 2/20 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
SCHEMBL8654257 0.81 LMNA (0.40) LMNATSHRCYP1A2PRKCAINMT
SCHEMBL4931493 0.68 TSHR (0.32) TSHR
Maleic Acid SCHEMBL9767753 0.65 TSHR (0.46) TSHRCYP1A2INMT
Fumaric Acid SCHEMBL9767759 0.65 TSHR (0.46) TSHRCYP1A2INMT
SCHEMBL3258347 0.64 TSHR (0.40) TSHR
Maleic Acid SCHEMBL5166062 0.63 CA1 (0.64) LMNATSHRCYP1A2INMT
Fumaric Acid SCHEMBL30153854 0.63 CA1 (0.64) LMNATSHRCYP1A2INMT
Fumaric Acid SCHEMBL301635 0.63 CA1 (0.64) LMNATSHRCYP1A2INMT
SCHEMBL4912011 0.62
SCHEMBL6209797 0.61 LMNA (0.38) LMNATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032621-B1 CROSS-LINKABLE THERMOPLASTIC POLYURETHANES HUNTSMAN INT LLC (US) 2019-08-14 EP claimed
US-20090197000-A1 CROSS-LINKABLE THERMOPLASTIC POLYURETHANES HUNTSMAN INTERNATIONAL LLC (US) 2009-08-06 US claimed
EP-2032621-A1 CROSS-LINKABLE THERMOPLASTIC POLYURETHANES Huntsman International LLC (US) 2009-03-11 EP claimed
WO-2007144292-A1 CROSS-LINKABLE THERMOPLASTIC POLYURETHANES HUNTSMAN INTERNATIONAL LLC (US) 2007-12-21 WO claimed