SCHEMBL197323

SCHEMBL197323

N#CCCC(O)C#N

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
SCHEMBL7902131 0.86
SCHEMBL7894553 0.83 TSHR (0.39)
SCHEMBL7906033 0.81 TSHR (0.37)
SCHEMBL7258004 0.78
SCHEMBL1291214 0.75
SCHEMBL13937394 0.75
Ammonia Solution, Strong SCHEMBL6542834 0.73
SCHEMBL1291215 0.73
SCHEMBL10904067 0.71
SCHEMBL10039552 0.71

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US claimed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US claimed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US claimed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP claimed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP claimed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP claimed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US claimed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP claimed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP claimed
US-8778651-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2014-07-15 US claimed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP claimed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP claimed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP claimed
US-20040053378-A1 Processes for making (R)-ethyl 4-cyano-3-hydroxybutyric acid DIVERSA CORPORATION (US) 2004-03-18 US claimed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US claimed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US claimed
WO-2003106415-A2 PROCESSES FOR MAKING (R)-ETHYL 4-CYANO-3-HYDROXYBUTYRIC ACID DIVERSA CORPORATION (US) 2003-12-24 WO claimed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO claimed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US claimed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO claimed