SCHEMBL626688

SCHEMBL626688

O=C=NC1(N=C=O)C=Cc2cccc3cccc1c23

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL28050408 0.98 TXNRD1 (0.31) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL27644016 0.83
Toluene Diisocyanate SCHEMBL28119834 0.81 CYP3A4 (0.52)
SCHEMBL8216368 0.80
SCHEMBL11841672 0.76
SCHEMBL28193284 0.75 GABRA1 (0.37)
SCHEMBL11874656 0.72 TYMS (0.33) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL28817812 0.69 ALDH1A1 (0.33) MEN1MAPTMAPK1KMT2A
SCHEMBL9700157 0.69 RAD52 (0.35) MEN1MAPTMAPK1KMT2A
SCHEMBL8984508 0.69 ALDH1A1 (0.33) TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046850-B2 Mixed metal catalyst compositions and methods for making polyurethane foam EVONIK OPERATIONS GMBH (DE) 2021-06-29 US claimed
EP-3461850-B1 MIXED METAL CATALYST COMPOSITIONS AND METHODS FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2020-08-12 EP claimed
EP-3461850-A1 MIXED METAL CATALYST COMPOSITIONS AND METHODS FOR MAKING POLYURETHANE FOAM Evonik Degussa GmbH (DE) 2019-04-03 EP claimed
EP-3110546-A1 CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM Air Products and Chemicals, Inc. (US) 2017-01-04 EP claimed
WO-2015130939-A1 CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-09-03 WO claimed
US-20150240023-A1 Catalyst Compositions and Methods for Making Foam AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-08-27 US claimed
EP-2909168-A1 ACRYLAMIDE-BASED CROSSLINKING MONOMERS, THEIR PREPARATION, AND USES THEREOF Saltworks Technologies Inc. (CA) 2015-08-26 EP claimed
WO-2014059516-A1 ACRYLAMIDE-BASED CROSSLINKING MONOMERS, THEIR PREPARATION, AND USES THEREOF SALTWORKS TECHNOLOGIES INC. (CA) 2014-04-24 WO claimed
WO-2024022833-A1 METHOD FOR PREPARING FLEXIBLE SLABSTOCK POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-02-01 WO disclosed
EP-4253442-A2 AMINE COMPOSITION USEFUL FOR MAKING STABLE POLYURETHANE FOAM SYSTEMS Evonik Operations GmbH (DE) 2023-10-04 EP disclosed
US-20220325026-A1 PHASE TRANSFER ACTIVE TRIMERIZATION CATALYST SALTS EVONIK OPERATIONS GMBH (DE) 2022-10-13 US disclosed
EP-4025618-A1 PHASE TRANSFER ACTIVE TRIMERIZATION CATALYST SALTS Evonik Operations GmbH (DE) 2022-07-13 EP disclosed
US-20220144996-A1 AMINE COMPOSITION USEFUL FOR MAKING STABLE POLYURETHANE FOAM SYSTEMS EVONIK OPERATIONS GMBH (DE) 2022-05-12 US disclosed
EP-3110546-B1 METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-03-30 EP disclosed
WO-2002004579-A1 LUBRICATING GREASE COMPOSITION AND PREPARATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2002-01-17 WO disclosed
US-5612115-A LAMINATE OR WOUND METAL ON POLYESTER AND A COATING OF AROMATIC POLYURETHANE DIAFOIL HOECHST COMPANY, LIMITED (JP) 1997-03-18 US disclosed
EP-0422810-A2 Metal coating compositions including linear polyester polyurethane LORD CORPORATION (US) 1991-04-17 EP disclosed
US-4347345-A Process for the production of broken-down organic lignin-cellulose silicate polymers BLOUNT DAVID H 1982-08-31 US disclosed
US-4220568-A Polyester containing carboxyl groups, a process for producing this polyester and aqueous coating compositions containing this polyester HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-02 US disclosed
US-4172822-A Aqueous coating compositions containing polyester containing carboxyl groups HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-30 US disclosed