Pentane

Pentane

SCHEMBL28925919

CCCCC.O=C(O)C1CC2CCC21C(=O)O

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
HPSE Q9Y251 3/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
ALOX5 P09917 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
Propane SCHEMBL28644782 0.91 ALDH1A1 (0.33) ALDH1A1SLC1A2SLC1A1
SCHEMBL11593269 0.66 LMNA (0.36) SLC1A2SLC1A1
SCHEMBL571727 0.66 LMNA (0.36) SLC1A2SLC1A1
SCHEMBL9321826 0.63 NAAA (0.35) HPSEALDH1A1MEN1KMT2A
SCHEMBL5644862 0.62 NAAA (0.34) MEN1KMT2A
SCHEMBL16678151 0.62 EPHX2 (0.44) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL31180745 0.62 EPHX2 (0.44) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL9657672 0.62 GRM2 (0.33) SLC1A2SLC1A1
SCHEMBL5029377 0.62 GRM2 (0.33) SLC1A2SLC1A1
SCHEMBL29710695 0.62 EPHX2 (0.44) EPHX2ALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527101-A Novel compound, polymer and method for producing same, photosensitive resin composition, method for forming pattern, cured film, and electronic component 信越化学工业株式会社 2021-10-22 CN disclosed