Butane

Butane

SCHEMBL9713115

C/C=C/CCC.CCCC

nearest known ligand 0.37

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL119259 0.96
SCHEMBL19007 0.96
SCHEMBL30099 0.96
SCHEMBL11702499 0.93
Hydrochloric Acid SCHEMBL7254486 0.93
SCHEMBL7157754 0.93
Hydrogen Sulfide SCHEMBL15658467 0.93
SCHEMBL7157752 0.93
SCHEMBL17923341 0.93 TSHR (0.37) TSHRALDH1A1
SCHEMBL17923344 0.93 TSHR (0.37) TSHRALDH1A1

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-0275591-B1 PROCESS FOR THE SELECTIVE OXIDATIVE CARBONYLATION OF CONJUGATED DIENES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-29 EP disclosed
US-4868328-A Selective oxidative carbonylation of conjugated dienes SHELL OIL COMPANY (US) 1989-09-19 US disclosed
EP-0275591-A2 Process for the selective oxidative carbonylation of conjugated dienes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-27 EP disclosed