SCHEMBL9004818

SCHEMBL9004818

CC1=C(C)CC(CN)=C(CN)C1

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
Hydrochloric Acid SCHEMBL9004766 0.97
SCHEMBL8537 0.68
SCHEMBL7594180 0.67
SCHEMBL8804164 0.65
SCHEMBL17581122 0.65
SCHEMBL15759303 0.62
SCHEMBL7794186 0.58
SCHEMBL3675466 0.57
SCHEMBL3673036 0.57
SCHEMBL12236934 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US claimed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 US claimed
US-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US disclosed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 US disclosed
EP-0650471-A1 ALICYCLIC DIAMINE FUNGICIDES BTG INTERNATIONAL LIMITED (GB) 1995-05-03 EP disclosed
WO-1993024444-A1 ALICYCLIC DIAMINE FUNGICIDES BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-12-09 WO disclosed