SCHEMBL6432081

SCHEMBL6432081

C=CCCCC.CCCC/C=C/CCCC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.82
ALDH1A1 P00352 1/20 0.82
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL22323638 0.97 TSHR (0.78) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL9187603 0.97 TSHR (0.78) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL28897337 0.97 TSHR (0.78) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL7856670 0.97 TSHR (0.78) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL630278 0.97 TSHR (0.78) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL25178050 0.97 TSHR (0.78) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL6272868 0.95 TSHR (0.75) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL6432087 0.95 TSHR (0.75) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL25182434 0.95 TSHR (0.74) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL1060985 0.95 TSHR (0.75) TSHRALDH1A1FAAHTRPV1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230207-B1 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2005-06-22 EP disclosed
US-6696597-B2 CROSS-METATHESIZING A TERMINAL OLEFIN AND INTERNAL OLEFIN IN PRESENCE OF CATALYST, TO FORM METATHESIS PRODUCT AND A SIDE PRODUCT; APPLYING CONDITIONS OF SUFFICIENTLY HIGH TEMPERATURE AND/OR LOW PRESSURE TO EVAPORTE SIDE PRODUCT TILLIECHEM, INC. 2004-02-24 US disclosed
US-6215019-B1 SELF-METATHESIZING 1-HEXENE USING GRUBBS' CATALYST; CROSS-METATHESIZING PRODUCT WITH ALCOHOL OR ACETATE-PROTECTED HEXENE TILLIECHEM, INC. 2001-04-10 US disclosed