SCHEMBL1276307

SCHEMBL1276307

O=C(O)C(S)C(CO)(CO)C(CO)(C(S)C(=O)O)C(S)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
RNPEP Q9H4A4 1/20 0.33
ENPEP Q07075 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1132707 0.76 ALDH1A1 (0.37) PTGS1SLC7A11RNPEPHPGDHSD17B10
SCHEMBL29092215 0.70 RNPEP (0.39) PTGS1SLC7A11RNPEPENPEPHPGD
SCHEMBL15821829 0.69
SCHEMBL432443 0.69 RNPEP (0.37) RNPEPENPEPHPGDHSD17B10TDP1
SCHEMBL9763414 0.65 RNPEP (0.34) RNPEPHPGDHSD17B10TDP1ABCB11
SCHEMBL435282 0.62 RNPEP (0.32) RNPEPHPGDHSD17B10TDP1ABCB11
SCHEMBL28661351 0.62 HPGD (0.40) RNPEPHPGDHSD17B10TDP1ABCB11
SCHEMBL2770550 0.62 TDP1 (0.40) PTGS1SLC7A11RNPEPENPEPHPGD
SCHEMBL3775794 0.61 GPR84 (0.33) RNPEP
SCHEMBL300184 0.61

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133820-A1 METHOD OF CURING A POLYTHIOURETHANE BASED SUBSTRATE COUPLED TO A MICROSTRUCTURED WAFER ESSILOR INTERNATIONAL (FR) 2024-06-27 WO disclosed
WO-2024126747-A1 METHOD OF CURING A POLYTHIOURETHANE BASED SUBSTRATE TOLERANT TO WATER ESSILOR INTERNATIONAL (FR) 2024-06-20 WO disclosed
WO-2024074596-A1 METHOD OF CURING A POLYTHIOURETHANE BASED SUBSTRATE WITH A SALT CATALYST ESSILOR INTERNATIONAL (FR) 2024-04-11 WO disclosed
WO-2024003383-A1 METHOD OF FAST CURING A POLYTHIOURETHANE BASED SUBSTRATE USING A DELAYED-ACTION CATALYST ESSILOR INTERNATIONAL (FR) 2024-01-04 WO disclosed
US-11774636-B2 Blue light cutting optical material having a bluish appearance ESSILOR INTERNATIONAL (FR) 2023-10-03 US disclosed
US-11312857-B2 Polymerizable composition and molded product MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
US-20210116604-A1 Blue Light Cutting Optical Material Having a Bluish Appearance ESSILOR INTERNATIONAL (FR) 2021-04-22 US disclosed
EP-3788091-A1 BLUE LIGHT CUTTING OPTICAL MATERIAL HAVING A BLUISH APPEARANCE ESSILOR INTERNATIONAL (FR) 2021-03-10 EP disclosed
EP-3766910-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, METHOD OF PRODUCING POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND METHOD OF PRODUCING OPTICAL ARTICLE Mitsui Chemicals, Inc. (JP) 2021-01-20 EP disclosed
US-20210009746-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, METHOD FOR MANUFACTURING POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND METHOD FOR MANUFACTURING OPTICAL ARTICLE MITSUI CHEMICALS, INC. (JP) 2021-01-14 US disclosed
US-20110034660-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PRODUCING OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-02-10 US disclosed
EP-1923415-B1 POLYURETHANE/THIOURETHANE-BASED OPTICAL RESIN AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS INC (JP) 2010-12-08 EP disclosed
US-20090227745-A1 Polyurethane/thiourethane-based optical resin and process for producing the same MITSUI CHEMICALS, INC. (JP) 2009-09-10 US disclosed
US-20090099329-A1 Polythiourethane-based polymerizable composition and optical resin obtained from the same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
EP-1925629-A1 POLYTHIOURETHANE-BASED POLYMERIZABLE COMPOSITION AND OPTICAL RESIN OBTAINED FROM THE SAME Mitsui Chemicals, Inc. (JP) 2008-05-28 EP disclosed
EP-1923415-A1 POLYURETHANE/THIOURETHANE-BASED OPTICAL RESIN AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2008-05-21 EP disclosed
US-5229243-A Addition polymer core, polyurethane or polythiourethane shell KAO CORPORATION (JP) 1993-07-20 US disclosed
EP-0501673-A1 Encapsulated toner for heat pressure fixing Kao Corporation (JP) 1992-09-02 EP disclosed
US-5126425-A Polymerization of polyisocyanates and polythiols MITSUI TOATSU CHEMICALS, INC. (JP) 1992-06-30 US disclosed
EP-0296502-A1 Low-hygroscopic sulfur-containing urethane resin, coating material and adhesive MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-28 EP disclosed