Butane

Butane

SCHEMBL3095446

C=C(C)C(=O)O[PH](=O)O.CCCC

nearest known ligand 0.44

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3464476 0.91
Butane SCHEMBL8583163 0.78 ALDH1A1 (0.38) TSHRALDH1A1TDP1
Butane SCHEMBL17350562 0.78 TSHR (0.46) TSHRALDH1A1THRB
Butane SCHEMBL6569457 0.77 ALDH1A1 (0.38) ALDH1A1
Butane SCHEMBL17350368 0.77 THRB (0.55) TSHRALDH1A1THRBTDP1
Butane SCHEMBL28211499 0.75 ALDH1A1 (0.50) TSHRALDH1A1THRBTDP1
SCHEMBL3691682 0.75 ALDH1A1 (0.50) TSHRALDH1A1THRBTDP1
Butane SCHEMBL8383524 0.75 ALDH1A1 (0.41) TSHRALDH1A1THRB
Butane SCHEMBL8386927 0.74
SCHEMBL28763788 0.74 ALDH1A1 (0.30) 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
US-20220220031-A1 GRANULATE MATERIAL AND ASSOCIATED COATING THAT IS LOW IN ODOR AND EMISSIONS, PARTICULARLY A CONSTRUCTION ELEMENT COATING, FOR EXAMPLE A FLOOR COATING, BASED ON A RADICAL POLYMERIZATION SIDEC NV (BE) 2022-07-14 US disclosed
WO-2020239877-A1 GRANULATE MATERIAL AND ASSOCIATED COATING THAT IS LOW IN ODOR AND EMISSIONS, PARTICULARLY A CONSTRUCTION ELEMENT COATING, FOR EXAMPLE A FLOOR COATING, BASED ON A RADICAL POLYMERIZATION SIDEC NV (BE) 2020-12-03 WO disclosed
US-20100252069-A1 METHOD OF RECOVERING IMPREGNATING AGENT COMPOSITIONS EVONIK ROEHM GMBH (DE) 2010-10-07 US disclosed