SCHEMBL28083232

SCHEMBL28083232

CCCc1ncc[nH]1.N#CC#N

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
TERT O14746 1/20 0.44
TAAR1 Q96RJ0 8/20 0.41
HTR1A P08908 1/20 0.41
ALOX15 P16050 1/20 0.40
FDPS P14324 1/20 0.39
F2RL1 P55085 3/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Water SCHEMBL28289263 0.92
SCHEMBL150937 0.90
Bromide SCHEMBL27939717 0.88
SCHEMBL28080048 0.88
Ethane SCHEMBL7484558 0.88 TERT (0.50) TBXAS1TERTTAAR1HTR1AALOX15
Iodide SCHEMBL27807077 0.88
Hydrochloric Acid SCHEMBL27497644 0.88
Benzene SCHEMBL28414414 0.86 TAAR1 (0.52) TBXAS1TERTTAAR1HTR1AALOX15
SCHEMBL9184267 0.84 TAAR1 (0.47) TBXAS1TERTTAAR1HTR1AALOX15
Phosphoric Acid SCHEMBL25270783 0.83 FDPS (0.53) TBXAS1TERTTAAR1HTR1AALOX15

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-105693452-A Purifying system and method for acetylene preparation from natural gas 北京神雾环境能源科技集团股份有限公司 2016-06-22 CN claimed
CN-105693452-A Purifying system and method for acetylene preparation from natural gas 北京神雾环境能源科技集团股份有限公司 2016-06-22 CN disclosed