SCHEMBL9509523

SCHEMBL9509523

CC(C)(C)CN.CCC(C)(C)N

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1725 0.84
Ammonia Solution, Strong SCHEMBL851616 0.81
Water SCHEMBL187548 0.81
Hydrochloric Acid SCHEMBL15112570 0.81 TSHR (0.46) TSHRTDP1CYP2D6
Bromide SCHEMBL1566230 0.81
SCHEMBL15821668 0.81
Methane SCHEMBL16107120 0.81
Hydrochloric Acid SCHEMBL358299 0.81
Methylamine SCHEMBL22830451 0.81
SCHEMBL28416649 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343258-B1 AGENT FOR PROPHYLAXIS AND TREATMENT OF VIRALLY INFECTED DISEASES MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-09-01 EP disclosed