Decane

Decane

SCHEMBL27463252

C1CNCCNCCNCCN1.CCCCCCCCCC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.57
GNAI3 P08754 7/20 0.48
GNAO1 P09471 7/20 0.48
GNAI1 P63096 7/20 0.48
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43
DNM1 Q05193 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
Nonane SCHEMBL27394311 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Tridecane SCHEMBL27396019 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Tetradecane SCHEMBL27500186 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Octane SCHEMBL11308877 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Decane SCHEMBL28285911 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Heptane SCHEMBL27336545 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Nonane SCHEMBL10873465 1.00 TSHR (0.57) TSHRTHRBGNAI3GNAO1GNAI1
Heptane SCHEMBL27839638 0.97 TSHR (0.53) TSHRTHRBGNAI3GNAO1GNAI1
Heptane SCHEMBL28830202 0.96 TSHR (0.61) TSHRTHRBGNAI3GNAO1GNAI1
Piperazine SCHEMBL27708668 0.96 TSHR (0.50) TSHRTHRBGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790277-A Polyisocyantates composition, blocked polyisocyanates composition, application composition, aqueous coating composition and coating substrate 旭化成株式会社 2019-05-21 CN disclosed
CN-105358602-B modified resin and resin composition 旭化成株式会社 2018-12-04 CN disclosed
CN-107629183-A Modified resin and resin combination 旭化成株式会社 2018-01-26 CN disclosed
CN-106794216-A Use of peptides blocking the hetero-mucin-SND 1 interaction as cancer treatment 普林斯顿大学理事会 2017-05-31 CN disclosed
CN-105358602-A Modified resin and resin composition ASAHI KASEI CHEMICALS CORP 2016-02-24 CN disclosed
CN-102753596-B Block polyisocyanate composition and coating composition containing same ASAHI KASEI CHEMICALS CORP 2014-03-26 CN disclosed
CN-1203899-C Compounds with chelation affinity and selectivity for first transition series elements, and their use in medical therapy and diagenosis CONCAT LTD (US) 2005-06-01 CN disclosed
CN-1189105-A Compounds with chelating affinity and selectivity for elements of the first transition series and their use in medical therapy and diagnosis CONCAT LTD (US) 1998-07-29 CN disclosed
CN-1137748-A Gas used as local and subcutaneous transmission carrier and microspheres filled with gas precursor IMARX PHARMACEUTICAL CORP (US) 1996-12-11 CN disclosed