SCHEMBL14939100

SCHEMBL14939100

C/C=C/COCCCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 2/20 0.42
LSS P48449 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
CES1 P23141 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL9148832 1.00 HTT (0.45) HTTTHRBMEN1KMT2AMAPT
SCHEMBL14939101 1.00 HTT (0.45) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11121632 1.00 HTT (0.45) HTTTHRBMEN1KMT2AMAPT
SCHEMBL9146283 1.00 HTT (0.45) HTTTHRBMEN1KMT2AMAPT
SCHEMBL9050529 1.00 HTT (0.45) HTTTHRBMEN1KMT2AMAPT
SCHEMBL14938976 1.00 HTT (0.45) HTTTHRBMEN1KMT2AMAPT
SCHEMBL135519 0.98 HTT (0.41) HTTTHRBMEN1KMT2AMAPT
SCHEMBL7936971 0.98 HTT (0.41) HTTTHRBMEN1KMT2AMAPT
SCHEMBL13239726 0.96 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL4293263 0.91

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
EP-3331895-B1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF USEFUL AS ANTIVIRAL AGENTS CHIMERIX INC (US) 2020-07-29 EP disclosed
EP-2776545-B1 CANDLE WAX COMPRISING A POLYMER AND METHOD FOR MAKING CANDLE WAX Nchem BVBA (BE) 2017-10-11 EP disclosed
EP-2776545-A1 CANDLE WAX COMPRISING A POLYMER AND METHOD FOR MAKING CANDLE WAX N-Chemie Comm. V. (BE) 2014-09-17 EP disclosed
WO-2013068385-A1 CANDLE WAX COMPRISING A POLYMER AND METHOD FOR MAKING CANDLE WAX N-CHEMIE COMM. V. (BE) 2013-05-16 WO disclosed