SCHEMBL9229667

SCHEMBL9229667

C=CCOC(=O)CCS.C=CCOC(=O)CCS.CCCCCCCC[Sn]CCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
DGKA P23743 1/20 0.40
DNM1 Q05193 1/20 0.38
PAM P19021 2/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.34
NAAA Q02083 1/20 0.33
EPHX2 P34913 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9064888 0.94 TSHR (0.59) TSHRDGKADNM1PAMFAAH
Allyl Hexanoate SCHEMBL28105417 0.85 TSHR (0.78) TSHRDGKADNM1PAMFAAH
SCHEMBL3519174 0.82 DGKA (0.53) TSHRDGKADNM1PAMFAAH
SCHEMBL3085212 0.82 TSHR (0.54) TSHRDGKAALDH1A1GAANAAA
Allyl Hexanoate SCHEMBL28075735 0.82 TSHR (0.84) TSHRDGKADNM1PAMFAAH
Allyl Decanoate SCHEMBL436741 0.80 TSHR (1.00) TSHRDGKADNM1PAMFAAH
Allyl Heptanoate SCHEMBL4147097 0.80 TSHR (1.00) TSHRDGKADNM1PAMFAAH
Allyl Heptanoate SCHEMBL20820 0.80 TSHR (1.00) TSHRDGKADNM1PAMFAAH
SCHEMBL440501 0.80 TSHR (1.00) TSHRDGKADNM1PAMFAAH
SCHEMBL3503097 0.80 TSHR (1.00) TSHRDGKADNM1PAMFAAH

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-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP claimed
US-5539055-A STYRENE RESIN AND VINYL CHLORIDE RESIN WITH ANTISTATIC AGENT AND STABILIZER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-07-23 US disclosed
EP-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP disclosed
EP-0607972-A1 Antistatic nonflammable resin composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-07-27 EP disclosed