Pentane

Pentane

SCHEMBL3463399

CC(F)(F)C(F)(F)F.CCCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.38
FAAH O00519 8/20 0.36
CES1 P23141 12/20 0.35
CES2 O00748 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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 SCHEMBL9108978 0.85 TSHR (0.58) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL28746066 0.81 TSHR (0.64) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL2022227 0.76 TSHR (0.70) TSHRLMNATHRBMEN1KMT2A
Perflexane SCHEMBL6291254 0.76 LMNA (0.47) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL4440624 0.76 LMNA (0.47) TSHRLMNATHRBFAAHCES1
SCHEMBL25700 0.76
SCHEMBL2134909 0.76
SCHEMBL20836269 0.76
Pentane SCHEMBL27366581 0.74 TSHR (0.54) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL6862649 0.73 TSHR (0.44) TSHRLMNATHRBFAAHCES1

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-116874713-A Polyurethane foam, preparation method and application thereof, and refrigerator 珠海格力电器股份有限公司 2023-10-13 CN disclosed
EP-2203630-A2 SYSTEM FOR RECOVERING WASTE HEAT General Electric Company (US) 2010-07-07 EP disclosed
WO-2009006006-A2 SYSTEM AND METHOD FOR RECOVERING WASTE HEAT GENERAL ELECTRIC COMPANY (US) 2009-01-08 WO disclosed