SCHEMBL28049351

SCHEMBL28049351

CCCCCCCCCCCCCCCCN(C1CCCCC1)C(CN)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
ADH1A P07327 2/20 0.35
ADH1C P00326 1/20 0.35
ADH4 P08319 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
EPHX1 P07099 11/20 0.34
EPHX2 P34913 2/20 0.34
METAP2 P50579 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL28868876 0.78 NAAA (0.39) NAAATHRATHRBEPHX1EPHX2
SCHEMBL28083249 0.74 ADH1A (0.39) NAAAADH1AADH1CADH4THRA
SCHEMBL24378399 0.70 ADH1A (0.34) ADH1AADH1CADH4THRATHRB
SCHEMBL10710852 0.70 ADH1A (0.39) NAAAADH1AADH1CADH4THRA
SCHEMBL39288 0.69 ADH1A (0.40) ADH1AADH1CADH4THRATHRB
SCHEMBL11458712 0.69 DRD2 (0.41) NAAAADH1AADH1CADH4THRA
Ammonia Solution, Strong SCHEMBL28049353 0.68 DRD2 (0.40) NAAAADH1AADH1CADH4THRA
SCHEMBL6255211 0.66 THRA (0.42) NAAAADH1AADH1CADH4THRA
SCHEMBL25454717 0.66 ADH1A (0.37) ADH1AADH1C
SCHEMBL9193281 0.66 ADH1A (0.43) NAAAADH1AADH1CADH4THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087460-A For being beneficial to plant growth and preventing and treating the bacillus thuringiensis RTI545 composition and application method of plant insect FMC 公司 2019-08-02 CN disclosed
CN-109890199-A Closed concentrated dry chemical dispensing system and method FMC 公司 2019-06-14 CN disclosed
CN-105592701-A Foam formulation and device for delivery FMC CORP 2016-05-18 CN disclosed