SCHEMBL814318

SCHEMBL814318

CCCc1c(N)ccc(Cc2ccc(N)c(CCC)c2CCC)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
SKP2 Q13309 1/20 0.33
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3674257 0.92 NOS2 (0.33) NOS2SKP2
SCHEMBL3676818 0.91 NOS2 (0.33) NOS2SKP2ALDH1A1CYP1A2ALOX15
SCHEMBL3674203 0.91 NOS2 (0.33) NOS2
SCHEMBL1534142 0.89 NOS2 (0.38) NOS2SKP2ALDH1A1GAAKDM4E
SCHEMBL3673502 0.88 NOS2 (0.33) NOS2SKP2ALDH1A1CYP1A2ALOX15
SCHEMBL3678219 0.88 NOS2 (0.33) NOS2SKP2
SCHEMBL3668951 0.88 NOS2 (0.33) NOS2SKP2
SCHEMBL3670115 0.88 SKP2 (0.47) NOS2SKP2ALDH1A1MAPK1HTT
Water SCHEMBL8332435 0.87 NOS2 (0.37) NOS2SKP2ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL11386534 0.87 NOS2 (0.37) NOS2SKP2ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602079-A Urethane elastomers prepared using a prepolymer prepared from a polyester which reacts with a chain-extending agent and/or a saturated polyester resin in which at least one of the polyesters is prepared from a dimer and/or trimer fatty acid WITCO CHEMICAL CORPORATION (US) 1986-07-22 US claimed
EP-4688900-A1 POLYURETHANE BUILDING BLOCK CONTAINING AMIDE AND URETHANE BONDS Cargill, Incorporated (US) 2026-02-11 EP disclosed
US-20250122324-A1 REVERSIBLE POLYOL AND PRODUCTS CONTAINING THE SAME CARGILL BIOINDUSTRIAL UK LIMITED (GB) 2025-04-17 US disclosed
EP-4504812-A1 METHODS FOR CONVERTING SOLID POLYURETHANE ARTICLES BASF SE (DE) 2025-02-12 EP disclosed
EP-4228544-B1 METHODS OF CONTROLLING HAZE IN ORTHODONTIC APPLIANCES INCLUDING SEMI-CRYSTALLINE POLYMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-11-27 EP disclosed
US-20240336759-A1 Isocyanate-Functional Polymer Components and Polyurethane Articles Formed From Recycled Polyurethane Articles and Associated Methods for Forming Same BASF SE (DE) 2024-10-10 US disclosed
WO-2024206035-A1 POLYURETHANE BUILDING BLOCK CONTAINING AMIDE AND URETHANE BONDS CARGILL, INCORPORATED (US) 2024-10-03 WO disclosed
US-12054589-B2 Isocyanate-functional polymer components and polyurethane articles formed from recycled polyurethane articles and associated methods for forming same BASF CORPORATION 2024-08-06 US disclosed
EP-4171434-B1 TOOTH REPOSITIONING SYSTEM SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-24 EP disclosed
EP-4373869-A1 REVERSIBLE POLYOL AND PRODUCTS CONTAINING THE SAME Cargill Bioindustrial UK Limited (GB) 2024-05-29 EP disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
WO-2003082944-A1 POLYURETHANE UNICHEMA CHEMIE B.V. (NL) 2003-10-09 WO disclosed
WO-2003070801-A1 POLYURETHANE FOAM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2003-08-28 WO disclosed
EP-0171536-B1 P-TMXDI POLYURETHANE ELASTOMERS WITH GOOD COMPRESSION SET PROPERTIES AMERICAN CYANAMID COMPANY (US) 1992-02-12 EP disclosed
EP-0364854-A2 Process for the production of mouldings - preferably shoe soles - having a compact outer layer and a cellular core BASF Aktiengesellschaft (DE) 1990-04-25 EP disclosed
EP-0351614-A2 Process for the preparation of cellular synthetic resins by the isocyanate polyaddition process by means of a stable emulsion containing a propellant, and these emulsions BASF Aktiengesellschaft (DE) 1990-01-24 EP disclosed
US-4721754-A INTERMEDIATE FOR POLYUREA OR POLYURETHANE PONY INDUSTRIES, INC., A CORP. OF DE 1988-01-26 US disclosed
US-4602079-A Urethane elastomers prepared using a prepolymer prepared from a polyester which reacts with a chain-extending agent and/or a saturated polyester resin in which at least one of the polyesters is prepared from a dimer and/or trimer fatty acid WITCO CHEMICAL CORPORATION (US) 1986-07-22 US disclosed
EP-0171536-A1 P-TMXDI polyurethane elastomers with good compression set properties AMERICAN CYANAMID COMPANY (US) 1986-02-19 EP disclosed
US-4546167-A WITH DIAMINE CURING AGENT AMERICAN CYANAMID COMPANY (US) 1985-10-08 US disclosed