SCHEMBL2559697

SCHEMBL2559697

CCCCOCCOCCC=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 1/20 0.43
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.37

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
SCHEMBL27273436 1.00 TSHR (0.52) TSHRCYP3A4ALDH1A1FAAHTRPV1
SCHEMBL883374 0.98
SCHEMBL27401876 0.96 TSHR (0.50) TSHRCYP3A4ALDH1A1FAAHTRPV1
Hydrochloric Acid SCHEMBL28092973 0.95 TSHR (0.52) TSHRCYP3A4ALDH1A1FAAHTRPV1
SCHEMBL2030564 0.91 TSHR (0.56) TSHRCYP3A4FAAHTRPV1MEN1
SCHEMBL4593059 0.91 TSHR (0.54) TSHRCYP3A4ALDH1A1FAAHTRPV1
SCHEMBL2903076 0.91 TSHR (0.59) TSHRCYP3A4ALDH1A1FAAHTRPV1
SCHEMBL3946404 0.88 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL10586641 0.88 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL9747592 0.88 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed