SCHEMBL3179299

SCHEMBL3179299

C=CCC1(O)C=CC(S(=O)(=O)C2=CCC(O)(CC=C)C=C2)=CC1

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
SCHEMBL9720013 0.85 POLB (0.42)
SCHEMBL6935994 0.76
Formaldehyde SCHEMBL8141841 0.72
SCHEMBL10699224 0.67
SCHEMBL8405969 0.64
SCHEMBL28908981 0.63
SCHEMBL7663864 0.62
SCHEMBL6266527 0.62
SCHEMBL23388969 0.62
SCHEMBL15269322 0.57 POLB (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562447-A1 OCULAR PAD AND METHOD FOR WARMING A PERIOCULAR AREA NTC s.r.l. (IT) 2019-11-06 EP disclosed
WO-2018122710-A1 OCULAR PAD AND METHOD FOR WARMING A PERIOCULAR AREA NTC S.R.L. (IT) 2018-07-05 WO disclosed
US-7651975-B2 Heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-01-26 US disclosed
EP-1616709-B1 HEAT-SENSITIVE RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2008-10-15 EP disclosed
US-20060191433-A1 Heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2006-08-31 US disclosed
EP-1616709-A1 HEAT-SENSITIVE RECORDING MATERIAL NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2006-01-18 EP disclosed
EP-0367228-B1 Heat-sensitive recording material ASAHI DENKA KOGYO KK (JP) 1994-07-20 EP disclosed
US-4980336-A 1,2-bis(3,4-dimethylphenyl)ethane sensitizer ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1990-12-25 US disclosed
EP-0367228-A2 Heat-sensitive recording material ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1990-05-09 EP disclosed