Pentane

Pentane

SCHEMBL11048488

CCCCC.CCCCC.[AlH3].[HH].[HH].[NaH]

nearest known ligand 0.70

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.70
LMNA P02545 3/20 0.70
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC22A1 O15245 3/20 0.38
SLC22A2 O15244 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.37
DNM1 Q05193 4/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Pentane SCHEMBL29014559 0.95
Pentane SCHEMBL29014558 0.89
Pentane SCHEMBL585051 0.89
Pentane SCHEMBL11817678 0.89
Pentane SCHEMBL1728222 0.89
Pentane SCHEMBL170808 0.89
Pentane SCHEMBL4255986 0.89
Hexane SCHEMBL28146506 0.84
Pentane SCHEMBL11052743 0.84 TSHR (0.78) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL9633320 0.84 TSHR (1.00) TSHRLMNATHRBALDH1A1TDP1

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-4489051-A Synthesis of complex beryllium hydrides ETHYL CORPORATION (US) 1984-12-18 US disclosed
US-4481183-A Synthesis of complex beryllium hydrides ETHYL CORPORATION (US) 1984-11-06 US disclosed
US-4478813-A Production of complex beryllium hydrides ETHYL CORPORATION (US) 1984-10-23 US disclosed