SCHEMBL11580672

SCHEMBL11580672

C=CCCCCCC.C=CCCCCCC.CCCCCCC12OC1O2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 2/20 0.48
CPT1A P50416 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL15209046 0.92 TSHR (0.46) TSHRALDH1A1
SCHEMBL2848855 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL1548257 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL9819585 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL8746863 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL23539923 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL11900218 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL22322880 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL22164116 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1
SCHEMBL13280495 0.78 TSHR (1.00) TSHRALDH1A1FAAHTRPV1

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
US-4102744-A AQUEOUS NUTRIENT MEDIUM, ORGANIC SOLVENT EXXON RESEARCH & ENGINEERING CO. (US) 1978-07-25 US disclosed