Octane

Octane

SCHEMBL27564992

CC(C)(C)OOC(C)(C)C.CCCCCCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.53
DNM1 Q05193 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
Decane SCHEMBL12471508 1.00 TSHR (0.53) TSHRTDP1THRBDNM1ALDH1A1
Hexane SCHEMBL3348665 0.97 TSHR (0.57) TSHRTDP1THRBDNM1ALDH1A1
Pentane SCHEMBL27304922 0.90 TSHR (0.57) TSHRTDP1THRBALDH1A1LMNA
Dodecane SCHEMBL12471952 0.87 TSHR (0.44) TSHRTDP1THRBDNM1ALDH1A1
Dodecane SCHEMBL12471645 0.87 TSHR (0.40) TSHRTDP1THRBDNM1ALDH1A1
SCHEMBL28108189 0.87 TSHR (0.40) TSHRTDP1THRBMEN1KMT2A
SCHEMBL23152664 0.84 TSHR (0.38) TSHRTDP1THRB
SCHEMBL94315 0.84 TSHR (0.38) TSHRTDP1THRB
SCHEMBL8056144 0.84 TSHR (0.38) TSHRTDP1THRB
SCHEMBL206571 0.84 TSHR (0.38) TSHRTDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101802098-B Flame retardant polyamide resin composition MITSUBISHI ENG PLASTICS CORP 2013-07-31 CN disclosed
CN-101479341-B Thermoplastic resin composition for producing automobile exterior part MITSUBISHI ENG PLASTICS CORP 2012-08-22 CN disclosed
CN-101400735-B Flame retardant polyamide resin composition and molding MITSUBISHI ENG PLASTICS CORP 2011-02-09 CN disclosed
CN-101802098-A Flame retardant polyamide resin composition MITSUBISHI ENG PLASTICS CORP 2010-08-11 CN disclosed
CN-100543595-C Positively chargeable developer CANON KK (JP) 2009-09-23 CN disclosed
CN-101479341-A Thermoplastic resin composition for producing automobile exterior part MITSUBISHI ENG PLASTICS CORP (JP) 2009-07-08 CN disclosed
CN-101400735-A Flame retardant polyamide resin composition and molding MITSUBISHI ENG PLASTICS CORP (JP) 2009-04-01 CN disclosed
CN-101061439-A Positively chargeable developer CANON KK (JP) 2007-10-24 CN disclosed
CN-1308776-C Toner CANON KK (JP) 2007-04-04 CN disclosed
CN-1534389-A Toner ������������ʽ���� 2004-10-06 CN disclosed