SCHEMBL29626817

SCHEMBL29626817

C=C(C)C(=O)N[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.32
APP P05067 1/20 0.31
ENPP2 Q13822 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
SCHEMBL245098 0.76 EPHX2 (0.35)
SCHEMBL15057007 0.76 EPHX2 (0.33)
SCHEMBL2773074 0.76 TSHR (0.41)
SCHEMBL6222153 0.76 TSHR (0.41)
Water SCHEMBL15392704 0.75 EPHX2 (0.35)
Hydrochloric Acid SCHEMBL3644710 0.75 EPHX2 (0.35)
Water SCHEMBL138325 0.75 EPHX2 (0.35)
Water SCHEMBL4920659 0.75 EPHX2 (0.32)
Hydrochloric Acid SCHEMBL4102058 0.75 TSHR (0.43) ENPP2
SCHEMBL34095 0.74 TGFBR1 (0.33) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573854-B Gel shear strength measurement using cross spring pivots 哈利伯顿能源服务公司 2022-03-18 CN disclosed