SCHEMBL27730307

SCHEMBL27730307

CC(C)C#N.[W]

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
SCHEMBL4147757 1.00 TSHR (0.90)
Water SCHEMBL27509838 0.95
Water SCHEMBL28118224 0.95 TSHR (1.00)
SCHEMBL14877 0.95
SCHEMBL9492341 0.95 TSHR (1.00)
Charcoal, Activated SCHEMBL29511178 0.90
SCHEMBL11466524 0.90
Hydrochloric Acid SCHEMBL28476386 0.90 TSHR (0.90)
Hydrochloric Acid SCHEMBL22531397 0.90
SCHEMBL16013108 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101365821-B Method for depositing metallic film JSR CORP 2011-10-05 CN disclosed
CN-101365821-A Method for depositing metallic film JSR CORP (JP) 2009-02-11 CN disclosed