Octane

Octane

SCHEMBL8523622

CCCCCCCC.CN(C)C=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.50
ADH1C P00326 3/20 0.48
ADH1A P07327 3/20 0.48
ADH4 P08319 3/20 0.48
ADH1B P00325 2/20 0.48
ADH7 P40394 2/20 0.48
EPHX1 P07099 1/20 0.48
DNM1 Q05193 3/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
EPHX2 P34913 1/20 0.39

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
Hexadecane SCHEMBL28158362 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Heptane SCHEMBL1975945 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Dodecane SCHEMBL28219621 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Decane SCHEMBL27095057 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Hexane SCHEMBL913216 0.97 TSHR (0.60) TSHRTHRBADH1CADH1AADH4
Pentane SCHEMBL28217044 0.90 TSHR (0.60) TSHRTHRBADH1CADH1AADH4
Pentane SCHEMBL28141221 0.88 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Octanol SCHEMBL27660517 0.87 TSHR (0.62) TSHRTHRBADH1CADH1AADH4
Dimethylformamide SCHEMBL28799762 0.87 TSHR (0.43) TSHRTHRBADH1CADH1AADH4
Dimethylformamide SCHEMBL28261689 0.87 TSHR (0.43) TSHRTHRBADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110531582-A Hardening resin composition and application thereof NIPPON CATALYTIC CHEM IND 2019-12-03 CN disclosed
CN-103576457-B Curable resin composition and use thereof 株式会社日本触媒 2019-10-25 CN disclosed
US-5922647-A CONTROLLING NOXIOUS PLANTS DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
US-5763355-A POTENTIATION DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed