Pentane

Pentane

SCHEMBL8845285

CC(C)CCCCC[Al](CCCCCC(C)C)CCCCCC(C)C.CCCCC

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
OPRM1 P35372 1/20 0.37
SPHK1 Q9NYA1 1/20 0.35
DNM1 Q05193 2/20 0.33
TSHR P16473 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
THRB P10828 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL10880931 0.91 DNM1 (0.39) LMNAOPRM1SPHK1DNM1TSHR
SCHEMBL23300887 0.90 LMNA (0.48) LMNA
SCHEMBL30065217 0.90 LMNA (0.48) LMNA
SCHEMBL722241 0.90 LMNA (0.48) LMNA
SCHEMBL4610674 0.87 LMNA (0.50) LMNA
SCHEMBL1631516 0.83 OPRM1 (0.39) LMNAOPRM1SPHK1DNM1TSHR
SCHEMBL28648379 0.80 TSHR (0.42) LMNAOPRM1DNM1TSHRTHRB
SCHEMBL344997 0.79 OPRM1 (0.55) LMNAOPRM1SPHK1DNM1TSHR
SCHEMBL15148 0.79 OPRM1 (0.55) LMNAOPRM1SPHK1DNM1TSHR
Octane SCHEMBL7455770 0.79 OPRM1 (0.55) LMNAOPRM1SPHK1DNM1TSHR

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
US-5696213-A HEATING IN PRESENCE OF A CATALYST SYSTEM EXXON CHEMICAL PATENTS INC. (US) 1997-12-09 US disclosed