Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL28190846

CCCCCC.CO[SiH](CC1CCCCC1)OC

nearest known ligand 0.48

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ NAAA Q02083 3/20 0.36
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ EPHX1 P07099 5/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL145494 0.89 CYP1A2 (0.36) CYP1A2SIGMAR1
SCHEMBL6689627 0.89 CYP1A2 (0.36) CYP1A2SIGMAR1
SCHEMBL249519 0.87 CYP1A2 (0.32) CYP1A2
SCHEMBL966700 0.83 — —
SCHEMBL29118222 0.78 CYP1A2 (0.38) CYP1A2SIGMAR1
SCHEMBL6685405 0.78 — —
SCHEMBL27668567 0.76 CYP1A2 (0.43) CYP1A2NAAANOS1NOS2
SCHEMBL27978836 0.76 — —
SCHEMBL1403821 0.74 CYP1A2 (0.63) CYP1A2NAAAEPHX1SIGMAR1
SCHEMBL27682908 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107446070-A A kind of carrier for olefin polymerization catalysis, preparation method and applications 营口风光新材料股份有限公司 2017-12-08 — — CN claimed
CN-102617760-B Method for preparing solid catalyst for olefin polymerization RENQIU LIHE SCIENCE & TECHNOLOGY DEV CO LTD 2013-10-16 — — CN disclosed