SCHEMBL30142446

SCHEMBL30142446

CCCCNC1(C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
OPRL1 P41146 7/20 0.33
DPP4 P27487 2/20 0.33
CETP P11597 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL9207124 0.91 EPHX1 (0.39) TSHRADH1BADH1CADH1AADH7
SCHEMBL8508675 0.91 EPHX1 (0.39) TSHRADH1BADH1CADH1AADH7
SCHEMBL24426039 0.86 ALDH1A1 (0.40) TSHRADH1BADH1CADH1AADH7
SCHEMBL27523829 0.86 OPRL1 (0.34) OPRL1DPP4
SCHEMBL18948680 0.86 OPRL1 (0.34) OPRL1DPP4
SCHEMBL21310476 0.84 EPHX1 (0.41) TSHRADH1BADH1CADH1AADH7
SCHEMBL28149210 0.81 TSHR (0.43) TSHRADH1BADH1CADH1AADH7
SCHEMBL5029645 0.80 DPP4 (0.35) OPRL1DPP4
SCHEMBL11598387 0.80 GRIN2D (0.41) TSHROPRL1DPP4CA12CA1
SCHEMBL18513124 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP disclosed
EP-3851472-B1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-07 EP disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed