SCHEMBL30054587

SCHEMBL30054587

C=C(C)COCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
THRB P10828 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11243551 0.97 CES2 (0.38) CES2THRBMEN1KMT2AHTT
SCHEMBL7256155 0.95 CES2 (0.39) CES2TSHRHSD17B10TDP1
SCHEMBL29488236 0.92 MEN1 (0.35) CES2THRBMEN1KMT2ATSHR
SCHEMBL347964 0.92 MEN1 (0.35) CES2THRBMEN1KMT2ATSHR
SCHEMBL10031352 0.91 CES2 (0.32) CES2THRBMEN1KMT2AHTT
SCHEMBL871697 0.89 CES2 (0.44) CES2THRBMEN1KMT2AHTT
SCHEMBL631462 0.89 HSD17B10 (0.37) CES2THRBMEN1KMT2ATSHR
SCHEMBL30284513 0.88 CES2 (0.33) CES2THRBMEN1KMT2AHTT
SCHEMBL10031351 0.88 MEN1 (0.40) CES2THRBMEN1KMT2AHTT
SCHEMBL5989968 0.88 TSHR (0.50) CES2THRBMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255356-A1 MANUFACTURING METHOD FOR POLYETHER-POLYSILOXANE BLOCK COPOLYMER COMPOSITION, POLYETHER-POLYSILOXANE BLOCK COPOLYMER COMPOSITION, AND USE THEREFOR ダウ・東レ株式会社 2022-12-08 WO disclosed
WO-2022255357-A1 POLYETHER-POLYSILOXANE BLOCK COPOLYMER-CONTAINING COMPOSITION HAVING IMPROVED FOAM ENHANCING PROPERTIES, USE THEREOF AND PRODUCTION METHOD THEREOF ダウ・東レ株式会社 2022-12-08 WO disclosed