SCHEMBL28754064

SCHEMBL28754064

NC(O)=S.OC(=S)NN1CCNCC1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL28468503 0.98 GNAI3 (0.35) GNAI3GNAO1GNAI1HSD17B10
SCHEMBL8897918 0.91 GNAI3 (0.38) GNAI3GNAO1GNAI1HSD17B10
Piperidine SCHEMBL28394461 0.82 ALDH1A1 (0.33)
SCHEMBL7758216 0.80 HTT (0.34)
SCHEMBL1132836 0.80 GNAI3 (0.37) GNAI3GNAO1GNAI1HSD17B10
SCHEMBL6515029 0.78 HTT (0.37)
SCHEMBL3066005 0.78 HTT (0.35) HSD17B10
Pyrrolidine SCHEMBL11631842 0.77 ALDH1A1 (0.33)
SCHEMBL3074878 0.76 HTT (0.38)
Ammonia Solution, Strong SCHEMBL28405557 0.76 HTT (0.34)

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-114558270-A Fly ash heavy metal chelating agent with calcium interference resistance 天津壹鸣环境科技股份有限公司 2022-05-31 CN claimed
CN-110655803-A Method for refining and removing copper from basic violet 5BN 丰城三友制笔科技有限公司 2020-01-07 CN disclosed