SCHEMBL7701534

SCHEMBL7701534

[CH2]CCOCCC(OCCCC)OCCCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.31
DNM1 Q05193 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL7701536 0.94 TSHR (0.39) TSHRCYP3A4
SCHEMBL10937244 0.87 TSHR (0.46) TSHRCYP3A4DNM1ADRB2ADRB1
SCHEMBL27579471 0.83 ADRB2 (0.35) TSHRCYP3A4DNM1ADRB2ADRB1
SCHEMBL12337817 0.81 TSHR (0.34) TSHRCYP3A4DNM1ADRB2ADRB1
SCHEMBL8529926 0.78
SCHEMBL20009 0.78
SCHEMBL11685248 0.78 SMPD1 (0.37) TSHRDNM1ADRB2ADRB1ADRB3
SCHEMBL16909991 0.76 TSHR (0.40) TSHRCYP3A4DNM1ADRB2ADRB1
SCHEMBL95107 0.75 TSHR (0.52) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL351162 0.75 ADRB2 (0.39) TSHRCYP3A4DNM1ADRB2ADRB1

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-6348517-B1 HALOGEN CONTAINING POLYMERS WITH STABILIZERS FOR STERILE ARTICLES OXY SERVICES, INC. 2002-02-19 US disclosed