Heptane

Heptane

SCHEMBL28257646

CCCCCCC.CN1CCCCC1.CN1CCCCC1

nearest known ligand 0.65

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.41

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
Octane SCHEMBL28866492 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1L3MBTL1MEN1
Heptane SCHEMBL23198377 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1L3MBTL1MEN1
Octane SCHEMBL28267212 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1L3MBTL1MEN1
Heptane SCHEMBL23198384 0.97 GNAI3 (0.45) GNAI3GNAO1GNAI1L3MBTL1MEN1
N-Methylpiperidine SCHEMBL28259487 0.97 L3MBTL1 (0.46) GNAI3GNAO1GNAI1L3MBTL1MEN1
Heptane SCHEMBL28386128 0.97 GNAI3 (0.48) GNAI3GNAO1GNAI1L3MBTL1MEN1
Octane SCHEMBL28388385 0.97 GNAI3 (0.48) GNAI3GNAO1GNAI1L3MBTL1MEN1
N-Methylpiperidine SCHEMBL20503132 0.97 L3MBTL1 (0.46) GNAI3GNAO1GNAI1L3MBTL1MEN1
N-Methylpiperidine SCHEMBL29259680 0.94 L3MBTL1 (0.45) GNAI3GNAO1GNAI1L3MBTL1MEN1
N-Methylpiperidine SCHEMBL23198385 0.94 L3MBTL1 (0.45) GNAI3GNAO1GNAI1L3MBTL1MEN1

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-108993585-A A kind of bifunctional catalyst and preparation method thereof of the molecular sieve of EUO containing multi-stage porous 中触媒新材料股份有限公司 2018-12-14 CN claimed
CN-108996517-A A kind of multi-stage porous and wide silica alumina ratio EU-1 molecular sieve and preparation method thereof 中触媒新材料股份有限公司 2018-12-14 CN claimed
CN-108946756-A A kind of multi-stage porous EUO structure molecular screen and its synthetic method 中触媒新材料股份有限公司 2018-12-07 CN claimed
CN-108996517-A A kind of multi-stage porous and wide silica alumina ratio EU-1 molecular sieve and preparation method thereof 中触媒新材料股份有限公司 2018-12-14 CN disclosed