SCHEMBL21403392

SCHEMBL21403392

C=C(C(=O)OCCCC)C1([SiH](C)C)CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.32
PRKCA P17252 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 1/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28022605 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20955910 0.79 TSHR (0.45) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL28000342 0.78
SCHEMBL7039895 0.75
SCHEMBL21122614 0.72 TSHR (0.45) TSHRALDH1A1POLBLMNASMN1; SMN2
Tetrahydrofuran SCHEMBL27727495 0.70 TSHR (0.69) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL28160560 0.69
Cyclohexane SCHEMBL9443739 0.67 TSHR (0.75) TSHRALDH1A1POLBLMNASMN1; SMN2
Fluoride SCHEMBL27965815 0.67 TSHR (0.81) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL28076495 0.65

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
WO-2020237363-A1 COMPOSITE PARTICLES COMPRISING A HYDROPHOBIC DYE AND AN AMPHIPHILIC BLOCK COPOLYMER AND USE THEREOF IN OPTICAL APPLICATIONS COLOURSMITH LABS INC. (CA) 2020-12-03 WO claimed
US-20210054206-A1 IMPACT MODIFIED POLYESTERCARBONATE-POLYSILOXANE COMPOSITION AND ASSOCIATED ARTICLE AND ADDITIVE MANUFACTURING METHOD SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2021-02-25 US disclosed
WO-2021021399-A1 ADDITIVE MANUFACTURING ARTICLE AND METHOD SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-02-04 WO disclosed
EP-3771723-A1 ADDITIVE MANUFACTURING ARTICLE AND METHOD SHPP Global Technologies B.V. (NL) 2021-02-03 EP disclosed
WO-2020237363-A1 COMPOSITE PARTICLES COMPRISING A HYDROPHOBIC DYE AND AN AMPHIPHILIC BLOCK COPOLYMER AND USE THEREOF IN OPTICAL APPLICATIONS COLOURSMITH LABS INC. (CA) 2020-12-03 WO disclosed
WO-2019191169-A1 IMPACT MODIFIED POLYESTERCARBONATE-POLYSILOXANE COMPOSITION AND ASSOCIATED ARTICLE AND ADDITIVE MANUFACTURING METHOD SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-10-03 WO disclosed
EP-3546520-A1 IMPACT MODIFIED POLYESTERCARBONATE-POLYSILOXANE COMPOSITION AND ASSOCIATED ARTICLE AND ADDITIVE MANUFACTURING METHOD SABIC Global Technologies B.V. (NL) 2019-10-02 EP disclosed