SCHEMBL570542

SCHEMBL570542

O=C=NC1(N=C=O)CCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL994327 0.94
SCHEMBL28148672 0.91 ALDH1A1 (0.31)
SCHEMBL28663623 0.91 ALDH1A1 (0.31)
SCHEMBL8811482 0.91 ALDH1A1 (0.31)
SCHEMBL28149798 0.91 ALDH1A1 (0.31)
SCHEMBL21750 0.91 ALDH1A1 (0.31)
SCHEMBL29008238 0.87
SCHEMBL11036592 0.87
Benzene SCHEMBL28217968 0.84 GAA (0.31)
Cyanate SCHEMBL28177339 0.80 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912017-A1 ETHYLENICALLY UNSATURATED OLIGOMERS CONTAINING POLYMER STABILIZER GROUPS BASF SE (DE) 2015-09-02 EP claimed
WO-2014066358-A1 ETHYLENICALLY UNSATURATED OLIGOMERS CONTAINING POLYMER STABILIZER GROUPS BASF SE (DE) 2014-05-01 WO claimed
EP-2046855-A1 PRESSURE-SENSITIVE ADHESIVE FROM A RESIN-MODIFIED POLYURETHANE Tesa AG (DE) 2009-04-15 EP claimed
EP-2027174-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF Coatings AG (DE) 2009-02-25 EP claimed
WO-2008009542-A1 PRESSURE-SENSITIVE ADHESIVE FROM A RESIN-MODIFIED POLYURETHANE TESA AG (DE) 2008-01-24 WO claimed
WO-2007131674-A1 BRANCHED POLYOLS HAVING A STATISTICAL AVERAGE OF TWO OR MORE HYDROXYL GROUPS IN THE MOLECULE, PROCESS FOR THEIR PREPARATION AND USE THEREOF BASF COATINGS AG (DE) 2007-11-22 WO claimed
US-20050178996-A1 Solvent-based fluorinated water and oil repellent and process for producing the same JINTEX CORPORATION LTD. (TW) 2005-08-18 US claimed
JP-2005504157-A 2005-02-10 JP claimed
EP-1440101-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2004-07-28 EP claimed
WO-2003033605-A1 NON-AQUEOUS COATING SUBSTANCE CONSISTING OF A SINGLE HEAT- AND ACTINIC RADIATION CURING CONSTITUENT, METHOD FOR PRODUCING SAME AND USE THEREOF BASF COATINGS AG (DE) 2003-04-24 WO claimed
WO-2003029319-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2003-04-10 WO claimed
US-5461109-A Water-reducible golf ball coating GUARDSMAN PRODUCTS, INC. (US) 1995-10-24 US claimed
EP-4347710-B1 MIXER SYSTEM FOR PRODUCING AQUEOUS COATING MATERIALS BASF COATINGS GMBH (DE) 2026-05-13 EP disclosed
US-12516207-B2 Aqueous primer composition and ink set, and printed matter SAKATA INX CORPORATION (JP) 2026-01-06 US disclosed
US-20250179329-A1 FAST CURING AQUEOUS COATING COMPOSITIONS AND A METHOD OF COATING A SUBSTRATE USING THE SAME BASF COATINGS GMBH (DE) 2025-06-05 US disclosed
US-12275864-B2 Self-releasing, pigmented in-mold-coating (IMC) for coating substrates BASF COATINGS GMBH (DE) 2025-04-15 US disclosed
US-4404347-A Polyisocyanate cross-linked polymers containing cellulosic component NIPPON PAINT CO., LTD. (JP) 1983-09-13 US disclosed
EP-0033458-B1 PROCESS FOR PREPARING MODIFIED POLYISOCYANATES AND THEIR USE AS CONSTITUENTS IN PREPARING POLYURETHANE PLASTICS BAYER AG (DE) 1983-04-27 EP disclosed
US-4320067-A Process for the preparation of modified polyisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1982-03-16 US disclosed
EP-0033458-A1 Process for preparing modified polyisocyanates and their use as constituents in preparing polyurethane plastics BAYER AG (DE) 1981-08-12 EP disclosed