Pentane

Pentane

SCHEMBL4736384

CC1=C([Mn])CC=C1.CCCCC.CCCCC

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL1636561 0.86
Hydrochloric Acid SCHEMBL9357200 0.84
Formaldehyde SCHEMBL15659902 0.79
Acetic Acid SCHEMBL9357191 0.74 FFAR3 (0.30)
SCHEMBL28247343 0.71 ACHE (0.32) LMNA
SCHEMBL6053814 0.70 NPC1 (0.32)
SCHEMBL4810881 0.70 NPC1 (0.32)
Carbon Monoxide SCHEMBL1133088 0.68
Hydrochloric Acid SCHEMBL27500389 0.68
SCHEMBL27460814 0.68 NPC1 (0.31)

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
WO-2008080833-A1 METHOD OF PREPARATION OF A PRIMARY PHOSPHINE RHODIA OPERATIONS (FR) 2008-07-10 WO disclosed
EP-1753707-A1 METHOD OF REDUCING A FUNCTIONAL GROUP IN AN OXIDISED FORM RHODIA CHIMIE (FR) 2007-02-21 EP disclosed
WO-2005110948-A1 METHOD OF REDUCING A FUNCTIONAL GROUP IN AN OXIDISED FORM RHODIA CHIMIE (FR) 2005-11-24 WO disclosed