SCHEMBL5347394

SCHEMBL5347394

C=C(C)C(O)=S.C=C(C)C(O)=S.C=C(C)C(O)=S

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL176354 1.00
SCHEMBL4625286 1.00 TDP1 (0.35) TDP1ALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL11753357 0.96
Benzene SCHEMBL17022337 0.92 TAS2R38 (0.33) TDP1ALDH1A1
SCHEMBL11753346 0.78
SCHEMBL6840418 0.76
SCHEMBL8584045 0.76
SCHEMBL21437104 0.76
SCHEMBL9246660 0.73
SCHEMBL2384524 0.70

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
US-6172140-B1 CROSSLINKING POLYMERIC CASTING COMPOSITION INCLUDING AN (METH)ACRYLIC TRI- OR TETRA-THIOL SUCH AS 4-MERCAPTOMETHYL-3,6-DITHIA-1,8-OCTANEDITHIOL TRITHIOMETHACRYLATE; OPHTHALMIC LENSE SOLA INTERNATIONAL HOLDINGS LTD (AU) 2001-01-09 US claimed
WO-1998024761-A1 ACRYLIC THIO MONOMERS SOLA INTERNATIONAL HOLDINGS LTD. (AU) 1998-06-11 WO claimed
EP-1952184-B1 PHOTOCHROMIC MULTIFOCAL OPTICAL ARTICLE TRANSITIONS OPTICAL INC (US) 2021-08-11 EP disclosed
US-7258437-B2 Photochromic multifocal optical article TRANSITIONS OPTICAL, INC. (US) 2007-08-21 US disclosed
US-20070052922-A1 Photochromic multifocal optical article TRANSITIONS OPTICAL LIMITED (IE) 2007-03-08 US disclosed
US-6172140-B1 CROSSLINKING POLYMERIC CASTING COMPOSITION INCLUDING AN (METH)ACRYLIC TRI- OR TETRA-THIOL SUCH AS 4-MERCAPTOMETHYL-3,6-DITHIA-1,8-OCTANEDITHIOL TRITHIOMETHACRYLATE; OPHTHALMIC LENSE SOLA INTERNATIONAL HOLDINGS LTD (AU) 2001-01-09 US disclosed
WO-1998024761-A1 ACRYLIC THIO MONOMERS SOLA INTERNATIONAL HOLDINGS LTD. (AU) 1998-06-11 WO disclosed