SCHEMBL7549398

SCHEMBL7549398

CC[N+](C)(C1CCCCC1)C1CCCCC1.[BH4-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.33
CYP1A2 P05177 1/20 0.32
CHRNA7 P36544 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
SCHEMBL5057742 0.97 SHBG (0.35) SHBGCYP1A2CHRNA7
Water SCHEMBL1875321 0.95 SHBG (0.33) SHBGCYP1A2CHRNA7
SCHEMBL5624036 0.83
SCHEMBL815698 0.76 BBOX1 (0.36) SHBGCYP1A2CHRNA7
SCHEMBL27081613 0.76 SHBG (0.35) SHBGCYP1A2
SCHEMBL1030997 0.76 SHBG (0.35) SHBGCYP1A2
SCHEMBL27081629 0.76 BBOX1 (0.36) SHBGCYP1A2CHRNA7
Hydrochloric Acid SCHEMBL20875141 0.74 BBOX1 (0.35) SHBGCYP1A2CHRNA7
SCHEMBL12762139 0.74 CHRNA7 (0.38) CYP1A2CHRNA7
Bromide SCHEMBL20875136 0.74 BBOX1 (0.35) SHBGCYP1A2CHRNA7

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
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed