Butane

Butane

SCHEMBL28309017

CCC(CO)(CO)CO.CCCC

nearest known ligand 0.37

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.30

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
Hydroxyl Radical SCHEMBL11668726 0.96 TSHR (0.39) TSHRALDH1A1SMN1; SMN2
SCHEMBL5907424 0.93 TSHR (0.41) TSHRALDH1A1
SCHEMBL15026 0.93
SCHEMBL175428 0.93 TSHR (0.41) TSHRALDH1A1
SCHEMBL4379385 0.93
Propanol SCHEMBL1500549 0.90 ALDH1A1 (0.37) TSHRALDH1A1SMN1; SMN2
SCHEMBL5161170 0.89 TSHR (0.39) TSHRALDH1A1
Water SCHEMBL1898758 0.89 TSHR (0.39) TSHRALDH1A1
Methyl Alcohol SCHEMBL9651704 0.89 TSHR (0.39) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL15375690 0.89 TSHR (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105739253-B The manufacturing method and toner of resin particle and the resin particle and the manufacturing method of the toner 佳能株式会社 2019-10-25 CN disclosed
CN-109942790-A A kind of synthetic method of steel plate and aluminium foil coating roller polyurethane compositions 安徽鼎宏胶辊有限公司 2019-06-28 CN disclosed