SCHEMBL3682793

SCHEMBL3682793

C1=CCC(=COCc2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 2/20 0.30
SLC6A4 P31645 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTGS1 P23219 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS2 P35354 1/20 0.30
HIF1A Q16665 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3426423 1.00 TSHR (0.36) TSHRIDO1AGXTCA1CA2
SCHEMBL11146222 0.71 NPC1 (0.37) TSHRIDO1AGXTALDH1A1CYP2C19
SCHEMBL3185636 0.70 MAOB (0.32) IDO1
SCHEMBL22125222 0.69 MAOA (0.33) IDO1CA1CA2CA9SLC6A3
SCHEMBL485261 0.69 TSHR (0.35) TSHRIDO1AGXTCYP2C19
SCHEMBL7868292 0.69 TSHR (0.35) TSHRIDO1AGXTCYP2C19
SCHEMBL11279266 0.67 ALDH1A1 (0.40) TSHRALDH1A1CYP2C19
SCHEMBL28018292 0.67 TSHR (0.36) TSHRIDO1AGXTCA1CA2
SCHEMBL2856970 0.65 TSHR (0.52) TSHRIDO1AGXTCA1CA2
SCHEMBL27509183 0.65 TSHR (0.57) TSHRIDO1AGXTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731118-B1 Low viscosity polymer polyols, a process for their preparation and their use in the preparation of polyurethane foam BAYER AG (DE) 2001-10-17 EP claimed
EP-0768324-B1 Continuous process for the preparation of highly stable, finely divided, low viscosity polymer polyols of small average particle size BAYER AG (DE) 2000-08-16 EP claimed
US-5814699-A CATALYTIC CONDENSATION COPOLYMERIZATION OF ACRYLONITRILE AND STYRENE WITH BASIC POLYOLS AND MACRONOMERS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-29 US claimed
EP-0768324-A1 Continuous process for the preparation of highly stable, finely divided, low viscosity polymer polyols of small average particle size BAYER AG (DE) 1997-04-16 EP claimed
EP-0731118-A2 Low viscosity polymer polyols, a process for their preparation and their use in the preparation of polyurethane foam BAYER AG (DE) 1996-09-11 EP claimed
US-5554662-A POLYMERIZATION IN PRESENCE OF BASE POLYOL, MACROMER, AND ENOL ETHER BAYER ADTIENGESELLSCHAFT (DE) 1996-09-10 US claimed
WO-2023189908-A1 RUBBER COMPOSITION, VULCANIZATE, AND VULCANIZED MOLDED OBJECT デンカ株式会社 2023-10-05 WO disclosed
EP-3921353-B1 NOVEL POLYMER POLYOL STABILIZERS COVESTRO LLC (US) 2023-03-15 EP disclosed
US-11421063-B2 Preformed stabilizers with improved stability COVESTRO LLC (US) 2022-08-23 US disclosed
EP-4041787-A1 PREFORMED STABILIZERS WITH IMPROVED STABILITY Covestro LLC (US) 2022-08-17 EP disclosed
CN-114599698-A Preformed stabilizers with improved stability 科思创有限公司 2022-06-07 CN disclosed
EP-3921353-A1 NOVEL POLYMER POLYOL STABILIZERS Covestro LLC (US) 2021-12-15 EP disclosed
CN-113383027-A Novel polymer polyol stabilizers 科思创有限公司 2021-09-10 CN disclosed
EP-0768324-A1 Continuous process for the preparation of highly stable, finely divided, low viscosity polymer polyols of small average particle size BAYER AG (DE) 1997-04-16 EP disclosed
EP-0755953-A2 Low viscosity polymer polyols, process for their preparation and their use in the preparation of polyurethane foams BAYER AG (DE) 1997-01-29 EP disclosed
US-5594066-A Low-viscosity, stable, agglomerate-free polymer polyols, a process for their preparation and their use in producing polyurethane plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0731118-A2 Low viscosity polymer polyols, a process for their preparation and their use in the preparation of polyurethane foam BAYER AG (DE) 1996-09-11 EP disclosed
US-5554662-A POLYMERIZATION IN PRESENCE OF BASE POLYOL, MACROMER, AND ENOL ETHER BAYER ADTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0699693-A2 Low viscosity, stable, non-agglomerated polymer-polyols, their preparation and use in the preparation of polyurethanes BAYER AG (DE) 1996-03-06 EP disclosed
EP-0636647-A1 Use of substituted phenols as fatique protectors for dynamically stressed elastomers BAYER AG (DE) 1995-02-01 EP disclosed