SCHEMBL7591607

SCHEMBL7591607

C#CC(C)(C)O.C#CC(C)(O)CC(C)C

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
SCHEMBL81639 0.95
SCHEMBL22443202 0.95
SCHEMBL1793954 0.93
3-Methylbutanol SCHEMBL28910611 0.83
SCHEMBL11507845 0.78
SCHEMBL22492983 0.76 TSHR (0.32)
SCHEMBL57923 0.76 TSHR (0.32)
SCHEMBL8745713 0.75
SCHEMBL18032760 0.75
SCHEMBL3105069 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290497-A1 SILICONE GEL-COATED WOUND DRESSING SYSTAGENIX WOUND MANAGEMENT IP. CO. B.V. (NL) 2019-09-26 US disclosed
US-10314748-B2 Silicone gel-coated wound dressing KCI USA, INC. (US) 2019-06-11 US disclosed
EP-0763568-B1 Silicone rubber composition for fluororesin-covered fixing rolls DOW CORNING TORAY SILICONE (JP) 2002-10-23 EP disclosed
EP-0763568-A2 Silicone rubber composition for fluororesin-covered fixing rolls and fluororesin-covered fixing rolls Dow Corning Toray Silicone Company Limited (JP) 1997-03-19 EP disclosed