SCHEMBL12697178

SCHEMBL12697178

O=C1C2=C(C(=O)N1OS(=O)(=O)C(F)(F)F)C1C=CC2C1

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
SCHEMBL12697165 0.84 CA2 (0.34)
SCHEMBL5929449 0.79 PTGS2 (0.33)
SCHEMBL3856715 0.77
SCHEMBL4873078 0.74
SCHEMBL14448181 0.72 ALDH1A1 (0.46)
SCHEMBL14491491 0.72 ALDH1A1 (0.46)
SCHEMBL107102 0.72 ALDH1A1 (0.46)
SCHEMBL14564324 0.72 ALDH1A1 (0.46)
SCHEMBL10231672 0.71 KMT2A (0.38)
SCHEMBL4834748 0.70

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287179-A1 HIGHLY SOLUBLE TRIS-(2,3-EPOXYPROPYL)-ISOCYANURATE AND METHOD FOR PRODUCING SAME NISSAN CHEMICAL CORPORATION (JP) 2023-09-14 US disclosed
US-20230287179-A1 HIGHLY SOLUBLE TRIS-(2,3-EPOXYPROPYL)-ISOCYANURATE AND METHOD FOR PRODUCING SAME NISSAN CHEMICAL CORPORATION (JP) 2023-09-14 US disclosed
WO-2023068207-A1 METAL OXIDE PARTICLE-CONTAINING COMPOSITION WITH REDUCED OCCURRENCE OF VOLATILE ALDEHYDES 日産化学株式会社 2023-04-27 WO disclosed
US-20190256657-A1 HIGHLY SOLUBLE TRIS- (2, 3-EPOXYPROPYL)- ISOCYANURATE AND METHOD FOR PRODUCING SAME NISSAN CHEMICAL CORPORATION (JP) 2019-08-22 US disclosed
US-20150353684-A1 HIGHLY SOLUBLE TRIS- (2, 3-EPOXYPROPYL)- ISOCYANURATE AND METHOD FOR PRODUCING SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-10 US disclosed
US-20150353684-A1 HIGHLY SOLUBLE TRIS- (2, 3-EPOXYPROPYL)- ISOCYANURATE AND METHOD FOR PRODUCING SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-10 US disclosed
EP-2944634-A1 HIGHLY SOLUBLE TRIS-(2,3-EPOXYPROPYL)-ISOCYANURATE AND METHOD FOR PRODUCING SAME Nissan Chemical Industries, Ltd. (JP) 2015-11-18 EP disclosed
US-8778597-B2 Long-chain alkylene-containing curable epoxy resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-15 US disclosed
US-8778597-B2 Long-chain alkylene-containing curable epoxy resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-15 US disclosed
US-8765835-B2 Epdxy resin composition having monocyclic aliphatic hydrocarbon ring NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-01 US disclosed
US-20130177849-A1 EPOXY RESIN COMPOSITION HAVING MONOCYCLIC ALIPHATIC HYDROCARBON RING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-07-11 US disclosed
US-20120295199-A1 LONG-CHAIN ALKYLENE-CONTAINING CURABLE EPOXY RESIN COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-22 US disclosed
US-20120295199-A1 LONG-CHAIN ALKYLENE-CONTAINING CURABLE EPOXY RESIN COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-22 US disclosed