SCHEMBL14629930

SCHEMBL14629930

C=CCC(C)CC(=CC(C)(C)C)CCCCCC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
FAAH O00519 2/20 0.35
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL4294623 0.81 TSHR (0.37) TSHRFAAHLMNAMEN1MAPK1
SCHEMBL7136990 0.79 TSHR (0.34) TSHRFAAHLMNAMEN1MAPK1
SCHEMBL6056313 0.78
SCHEMBL10915525 0.77 TSHR (0.48) TSHRFAAHLMNAKMT2A
SCHEMBL9491466 0.76 TSHR (0.47) TSHRFAAHLMNAMEN1KMT2A
SCHEMBL3675070 0.74 TSHR (0.44) TSHRFAAHLMNA
SCHEMBL6748775 0.74 TSHR (0.44) TSHRFAAHLMNA
SCHEMBL11787485 0.74 CES1 (0.39) TSHRFAAHMEN1KMT2A
SCHEMBL27563912 0.74 CES1 (0.39) TSHRFAAHMEN1KMT2A
SCHEMBL11787491 0.74 CES1 (0.39) TSHRFAAHMEN1KMT2A

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-2548639-B1 Detection of process temperature anomalies in tubuar reactors NOVA CHEM INT SA (CH) 2015-09-09 EP disclosed
US-8755947-B2 Roller detection NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2014-06-17 US disclosed
US-20130022498-A1 Roller detection NOVA CHEMICALS (INTERNATIONAL) S.A. 2013-01-24 US disclosed
EP-2548639-A1 Detection of process temperature anomalies in tubuar reactors Nova Chemicals (International) S.A. (CH) 2013-01-23 EP disclosed