SCHEMBL28698463

SCHEMBL28698463

CC[N+](CC)(CC)C(C)C.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALPG P10696 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
SCHEMBL349518 0.82 TSHR (0.33)
SCHEMBL28698462 0.79
Water SCHEMBL31683099 0.78 TSHR (0.31)
Hydrochloric Acid SCHEMBL31683057 0.78 KDM4E (0.38)
Bromide SCHEMBL31683090 0.78 TSHR (0.31)
Iodide SCHEMBL31683153 0.78 TSHR (0.31)
Fluoride Ion SCHEMBL31683151 0.78 TSHR (0.31)
Isobutane SCHEMBL11753394 0.72 TSHR (0.35) ALPG
Propane SCHEMBL28395647 0.71 ALPG (0.37) ALPG
Propane SCHEMBL28392092 0.71 ALPG (0.37) ALPG

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-110127871-B Novel scale inhibitor and application thereof 四川文理学院 2022-01-11 CN disclosed
CN-110127871-B Novel scale inhibitor and application thereof 四川文理学院 2022-01-11 CN disclosed