Butyl Alcohol

Butyl Alcohol

SCHEMBL8677306

CCCCO.CCCCO.CCCCO.CCc1cccc2c1C=CC2[Ti]

nearest known ligand 0.33

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
CES2 O00748 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
Bromide SCHEMBL8036420 0.69
Hydrochloric Acid SCHEMBL8024789 0.67 GABRA1 (0.36) GABRA1GABRB2
Butyl Alcohol SCHEMBL11656046 0.61
Butyl Alcohol SCHEMBL11244108 0.61 TSHR (0.49) ALDH1A1
Propanol SCHEMBL29070931 0.60 GABRA1 (0.52) GABRA1GABRB2ALDH1A1
Butyl Alcohol SCHEMBL28004733 0.59 ALDH1A1 (0.52) ALDH1A1
Benzene SCHEMBL515817 0.59 ALDH1A1 (0.79) ALDH1A1
Butyl Alcohol SCHEMBL11895293 0.59
Naphthalene SCHEMBL27493313 0.58 ALDH1A1 (0.58) ALDH1A1
Maleic Anhydride SCHEMBL10545341 0.58 ALDH1A1 (0.50) ALDH1A1

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
US-5721327-A Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.P.A. (IT) 1998-02-24 US disclosed
EP-0796875-A2 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed