Pentane

Pentane

SCHEMBL10409590

CC1CCCCC1.CCCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NAAA Q02083 2/20 0.36
SHBG P04278 1/20 0.36
EPHX1 P07099 8/20 0.35
SIGMAR1 Q99720 2/20 0.35
EPHX2 P34913 1/20 0.34

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
Cyclohexane SCHEMBL8575428 0.94 CYP1A2 (0.52) CYP1A2TSHRACHEMEN1POLB
Hexane SCHEMBL7972177 0.94 CYP1A2 (0.52) CYP1A2TSHRACHEMEN1POLB
Cyclohexane SCHEMBL27704196 0.94 CYP1A2 (0.52) CYP1A2TSHRACHEMEN1POLB
Cyclohexane SCHEMBL27631080 0.94 CYP1A2 (0.52) CYP1A2TSHRACHEMEN1POLB
Decane SCHEMBL9122050 0.92 CYP1A2 (0.50) CYP1A2TSHRNAAAEPHX1SIGMAR1
Octane SCHEMBL1401728 0.92 CYP1A2 (0.50) CYP1A2TSHRNAAAEPHX1SIGMAR1
Heptane SCHEMBL719492 0.92 CYP1A2 (0.50) CYP1A2TSHRNAAAEPHX1SIGMAR1
Heptane SCHEMBL8056393 0.92 CYP1A2 (0.50) CYP1A2TSHRNAAAEPHX1SIGMAR1
Heptane SCHEMBL27663481 0.92 TSHR (0.44) CYP1A2LMNATSHRMEN1POLB
Heptane SCHEMBL8847330 0.92 CYP1A2 (0.50) CYP1A2TSHRNAAAEPHX1SIGMAR1

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
CN-104768981-B Polyolefin, adhesive composition containing same, and adhesive tape using same 出光兴产株式会社 2017-10-24 CN disclosed
US-4945990-A Polymer containing pendant vinyl ether groups useful in enhanced oil recovery using CO2 flooding CHEVRON RESEARCH COMPANY (US) 1990-08-07 US disclosed
US-4945989-A Solution with cosolvent CHEVRON RESEARCH COMPANY (US) 1990-08-07 US disclosed