SCHEMBL988641

SCHEMBL988641

[CH2]CC(CCCCC)[S+](C)[O-]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
CA1 P00915 2/20 0.33
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.31
DNM1 Q05193 2/20 0.31
FDPS P14324 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
SCHEMBL987964 0.93 DNM1 (0.32) DNM1
SCHEMBL8682846 0.84 LMNA (0.41) OPRM1CA1LMNACA2DNM1
SCHEMBL11385298 0.80 LMNA (0.38) OPRM1CA1LMNACA2DNM1
SCHEMBL7104457 0.70 OPRM1 (0.39) OPRM1CA1LMNACA2DNM1
SCHEMBL4362883 0.70 DNM1 (0.46) OPRM1LMNACA2DNM1FDPS
SCHEMBL6662072 0.68 LMNA (0.39) OPRM1LMNACA2DNM1FDPS
SCHEMBL30701404 0.68 OPRM1 (0.42) OPRM1LMNACA2DNM1
Dimethyl Sulfoxide SCHEMBL8958133 0.67 OPRM1 (0.46) OPRM1CA1LMNACA2DNM1
SCHEMBL4304048 0.67
SCHEMBL31578848 0.67 LMNA (0.38) OPRM1CA1LMNACA2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7865312-B2 Method of non-targeted complex sample analysis PHENOMENOME DISCOVERIES INC. (CA) 2011-01-04 US disclosed
EP-2175389-A2 Method of non-targeted complex sample analysis Yol Bolsum Canada Inc. (CA) 2010-04-14 EP disclosed
US-20080308723-A1 METHOD OF NON-TARGETED COMPLEX SAMPLE ANALYSIS YOL BOLSUM CANADA, INC. (CA) 2008-12-18 US disclosed
US-7349809-B2 Method of non-targeted complex sample analysis YOL BOLSUM CANADA INC. (CA) 2008-03-25 US disclosed
US-20060080042-A1 Method of non-targeted complex sample analysis YOL BOLSUM CANADA, INC (CA) 2006-04-13 US disclosed
EP-1255989-A2 METHOD OF NON-TARGETED COMPLEX SAMPLE ANALYSIS Yol Bolsum Canada Inc. (CA) 2002-11-13 EP disclosed
WO-2001057518-A2 METHOD OF NON-TARGETED COMPLEX SAMPLE ANALYSIS YOL BOLSUM CANADA INC. (CA) 2001-08-09 WO disclosed