SCHEMBL22196897

SCHEMBL22196897

C=CC(=O)OCCNC(=O)NC1CC(C)(C)CC(C)(CNC(=O)NC)C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL22196863 0.88 TSHR (0.57) TSHRTDP1HSD17B10
SCHEMBL13413669 0.81 TSHR (0.52) TSHRTDP1
SCHEMBL12172788 0.80 TSHR (0.63) TSHRTDP1HSD17B10
SCHEMBL12862502 0.80 TSHR (0.63) TSHRTDP1HSD17B10
SCHEMBL21667490 0.80 TSHR (0.63) TSHRTDP1HSD17B10
SCHEMBL16704795 0.78 TSHR (0.71) TSHRTDP1HSD17B10
SCHEMBL16380457 0.78 TSHR (0.60) TSHRTDP1HSD17B10
SCHEMBL19967753 0.78 TSHR (0.57) TSHRTDP1HSD17B10
SCHEMBL12172780 0.78 TSHR (0.60) TSHRTDP1HSD17B10
SCHEMBL19847419 0.78 TSHR (0.60) TSHRTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548962-B2 Self-healing polymer network containing physical crosslinker, composition therefor, and optical element comprising the same INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2023-01-10 US disclosed
US-20200216581-A1 SELF-HEALING POLYMER NETWORK CONTAINING PHYSICAL CROSSLINKER, COMPOSITION THEREFOR, AND OPTICAL ELEMENT COMPRISING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2020-07-09 US disclosed