Octane

Octane

SCHEMBL28263947

CC(C)c1ccncc1.CCCCCCCC

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NAAA Q02083 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37

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
SCHEMBL33167 0.83 — —
SCHEMBL28143791 0.82 MAPT (0.44) MAPTALDH1A1POLBNAAACYP3A4
SCHEMBL27485167 0.82 MAPT (0.44) MAPTALDH1A1POLBNAAACYP3A4
SCHEMBL21416476 0.82 MAPT (0.44) MAPTALDH1A1POLBNAAACYP3A4
SCHEMBL19223903 0.82 MAPT (0.44) MAPTALDH1A1POLBNAAACYP3A4
SCHEMBL24919973 0.82 MAPT (0.44) MAPTALDH1A1POLBNAAACYP3A4
SCHEMBL27359967 0.81 CYP3A4 (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL29452917 0.81 CYP3A4 (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28532113 0.81 CYP3A4 (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL27723381 0.81 CYP3A4 (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C19

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-109135844-B Preparation method of environment-friendly gasoline 冯林喜 2020-08-14 — — CN claimed
CN-109135844-A A kind of preparation method of environment protection gasoline 宁波帝杨电子科技有限公司 2019-01-04 — — CN claimed
CN-109135844-B Preparation method of environment-friendly gasoline 冯林喜 2020-08-14 — — CN disclosed
CN-109135844-A A kind of preparation method of environment protection gasoline 宁波帝杨电子科技有限公司 2019-01-04 — — CN disclosed
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