Acetonitrile

Acetonitrile

SCHEMBL985628

CC#N.CC#N.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ 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
Acetonitrile SCHEMBL30588827 1.00 — —
Acetic Acid SCHEMBL3783936 0.86 FFAR3 (0.30) —
Acetonitrile SCHEMBL3267900 0.84 — —
Acetonitrile SCHEMBL985556 0.82 — —
SCHEMBL22478 0.80 — —
SCHEMBL8591536 0.80 — —
SCHEMBL30422789 0.78 — —
SCHEMBL29486245 0.78 — —
Methyl Alcohol SCHEMBL29830582 0.78 — —
Methyl Alcohol SCHEMBL1451644 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009578-A1 Use Of A Combination Chain Transfer And Activating Agent To Control Molecular Weight And Optical Density Of Pd Catalyzed Norbornene Polymers PROMERUS LLC (US) 2011-01-13 — — US disclosed
US-7759439-B2 Use of a combination chain transfer and activating agent to control molecular weight and optical density of Pd catalyzed norbornene polymers PROMERUS LLC (US) 2010-07-20 — — US disclosed
EP-2134754-A1 USE OF A COMBINATION CHAIN TRANSFER AND ACTIVATING AGENT TO CONTROL MOLECULAR WEIGHT AND OPTICAL DENSITY OF PD CATALYZED NORBORNENE POLYMERS Promerus LLC (US) 2009-12-23 — — EP disclosed
WO-2008121804-A1 USE OF A COMBINATION CHAIN TRANSFER AND ACTIVATING AGENT TO CONTROL MOLECULAR WEIGHT AND OPTICAL DENSITY OF PD CATALYZED NORBORNENE POLYMERS PROMERUS LLC (US) 2008-10-09 — — WO disclosed
US-20080242810-A1 Use of a Combination Chain Transfer and Activating Agent to Control Molecular Weight and Optical Density of Pd Catalyzed Norbornene Polymers PROMERUS LLC (US) 2008-10-02 — — US disclosed
Send feedback