SCHEMBL9289205

SCHEMBL9289205

C=CCC(CCCC)OCCO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
DNM1 Q05193 1/20 0.32
PLA2G2C Q5R387 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
SCHEMBL16189800 0.87 DNM1 (0.38) TSHRALDH1A1CNR1CNR2HPGD
SCHEMBL30977012 0.82 TSHR (0.46) TSHRALDH1A1CNR1CNR2MEN1
SCHEMBL10791875 0.82 TSHR (0.33) TSHRALDH1A1HPGDDNM1PLA2G2C
SCHEMBL16311935 0.80 TSHR (0.34) TSHR
SCHEMBL4130405 0.79 CNR1 (0.44) TSHRALDH1A1CNR1CNR2MEN1
SCHEMBL12599352 0.79 TSHR (0.43) TSHRALDH1A1CNR1CNR2MEN1
SCHEMBL37441 0.79 TSHR (0.43) TSHRALDH1A1CNR1CNR2MEN1
SCHEMBL9296230 0.79 MEN1 (0.43) TSHRALDH1A1CNR1CNR2MEN1
SCHEMBL30977038 0.79 TSHR (0.43) TSHRALDH1A1CNR1CNR2MEN1
SCHEMBL13239248 0.79 TSHR (0.36) TSHRALDH1A1CNR1CNR2HPGD

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-0589359-B1 Process for the production of ketene acetals WACKER CHEMIE GMBH (DE) 1995-06-28 EP claimed
US-9452426-B2 Polymer adsorbent NIPPON FILCON CO., LIMITED (JP) 2016-09-27 US disclosed
EP-2808080-A1 POLYMER ADSORBENT Nippon Filcon Co., Ltd. (JP) 2014-12-03 EP disclosed
US-20140332714-A1 POLYMER ADSORBENT NIPPON FILCON CO., LIMITED (JP) 2014-11-13 US disclosed