SCHEMBL9615946

SCHEMBL9615946

C=CCCCCN(N)CC=C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.35
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 2/20 0.31

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
SCHEMBL4095968 0.79 TSHR (0.41) TSHRALDH1A1
SCHEMBL370117 0.79 TSHR (0.41) TSHRALDH1A1
SCHEMBL11152223 0.78 TSHR (0.47) TSHR
SCHEMBL13258371 0.73
SCHEMBL87764 0.73
SCHEMBL4156213 0.72
SCHEMBL14727255 0.71 TSHR (0.42) TSHRALDH1A1ABCC4MAPT
SCHEMBL5438295 0.70
SCHEMBL720926 0.70
Bromide SCHEMBL9820146 0.70

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
CN-105764985-B Compositions of thermosetting resin 三键有限公司 2018-07-03 CN disclosed
CN-107001593-A Hot curing resin composition 三键有限公司 2017-08-01 CN disclosed
US-5130354-A Paving or roofing material SHELL OIL COMPANY (US) 1992-07-14 US disclosed