SCHEMBL22196863

SCHEMBL22196863

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HPGD P15428 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
SCHEMBL12862502 0.92 TSHR (0.63) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL21667490 0.92 TSHR (0.63) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL12172788 0.92 TSHR (0.63) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL16704795 0.90 TSHR (0.71) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL18123391 0.89 TSHR (0.59) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL21675900 0.89 TSHR (0.59) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL18123390 0.89 TSHR (0.59) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL15706007 0.89 TSHR (0.59) TSHRTDP1HSD17B10EPHX1ALDH1A1
SCHEMBL15706005 0.89 TSHR (0.55) TSHRHSD17B10EPHX1ALDH1A1TP53
SCHEMBL22196897 0.88 TSHR (0.50) 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