SCHEMBL5837039

SCHEMBL5837039

CCCCCOCCCCC.CCCCOCCCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
THRB P10828 2/20 0.62
HTT P42858 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 1/20 0.62
CYP3A4 P08684 1/20 0.52
CES2 O00748 2/20 0.50
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.46
CES1 P23141 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL131511 1.00 TSHR (0.63) TSHRTHRBHTTMEN1KMT2A
SCHEMBL9242455 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL21044662 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL199223 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL23357044 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL23356775 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL23356895 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL23356740 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL199279 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A
SCHEMBL2120030 0.97 THRB (0.67) TSHRTHRBHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203229-A1 COMPOSITION, UNDERLAYER FILM, AND DIRECTED SELF-ASSEMBLY LITHOGRAPHY PROCESS JSR CORPORATION (JP) 2023-06-29 US disclosed
US-7119238-B2 Process for purification and crystallization of palm oil carotenoids UNIVERSITY OF MARYLAND (US) 2006-10-10 US disclosed
US-20030158455-A1 Process for purification and crystallization of palm oil carotenoids UNIVERSITY OF MARYLAND, COLLEGE PARK 2003-08-21 US disclosed
WO-2002004415-A2 PROCESS FOR PURIFICATION AND CRYSTALLIZATION OF PALM OIL CAROTENOIDS UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2002-01-17 WO disclosed