Octane

Octane

SCHEMBL6577577

CCCCCCCC.N=C=S

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.57
NAAA Q02083 1/20 0.50
DNM1 Q05193 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

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
Isothiocyanate SCHEMBL28059424 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Dodecane SCHEMBL28059610 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Decane SCHEMBL28059509 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Isothiocyanate SCHEMBL7133121 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Octane SCHEMBL6577580 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Undecane SCHEMBL3802416 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Heptane SCHEMBL11507820 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Isothiocyanate SCHEMBL6577983 1.00 TSHR (0.57) TSHRTHRBNAAADNM1ALDH1A1
Hexane SCHEMBL28393830 0.96 TSHR (0.50) TSHRTHRBNAAADNM1ALDH1A1
Hexane SCHEMBL21496135 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed
CN-111205424-B Modified resin and resin composition 旭化成株式会社 2022-04-08 CN disclosed
CN-113929866-A Modified resin and resin composition 旭化成株式会社 2022-01-14 CN disclosed
CN-107629183-B Modified resin and resin composition 旭化成株式会社 2021-01-05 CN disclosed
CN-111205424-A Modified resin and resin composition 旭化成株式会社 2020-05-29 CN disclosed
CN-105358602-A Modified resin and resin composition ASAHI KASEI CHEMICALS CORP 2016-02-24 CN disclosed
EP-1120435-B1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LTD (JP) 2004-05-06 EP disclosed
US-6562936-B1 Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration TEIJIN LIMITED (JP) 2003-05-13 US disclosed
US-6509435-B1 Heat resistance, stability; moldings TEIJIN LIMITED (JP) 2003-01-21 US disclosed
EP-1191049-A1 POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2002-03-27 EP disclosed
EP-1120435-A1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LIMITED (JP) 2001-08-01 EP disclosed