SCHEMBL9344157

SCHEMBL9344157

CCC(C)(C#N)CN=NCC(C)C#N.[N-]=[N+]1C23CCC1(CC2)CC3

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
SCHEMBL447642 0.85
SCHEMBL2134199 0.71
SCHEMBL8964169 0.70
SCHEMBL9767943 0.67 TSHR (0.31)
SCHEMBL9005197 0.65
SCHEMBL11303874 0.65
SCHEMBL142610 0.64 TSHR (0.43)
SCHEMBL6522065 0.64 TSHR (0.43)
SCHEMBL121 0.64 TSHR (0.43)
SCHEMBL3608859 0.64

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
EP-0343850-B1 Absorbent structures from mixed furnishes PROCTER & GAMBLE (US) 1994-07-20 EP disclosed
US-5200037-A Absorbent structures from mixed furnishes THE PROCTER & GAMBLE COMPANY (US) 1993-04-06 US disclosed
EP-0343850-A2 Absorbent structures from mixed furnishes THE PROCTER & GAMBLE COMPANY (US) 1989-11-29 EP disclosed
US-4734445-A SHELL-CORE POLYMER; BUTADIENE, ISOPRENE, STYRENE CORE, UNSATURATED POLYOXYALKYLENE SHELL THE PROCTER & GAMBLE COMPANY (US) 1988-03-29 US disclosed