Methane

Methane

SCHEMBL27610739

C.CC1C2=C(CCCC2(C)C)CCC1O

nearest known ligand 0.36

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 1/20 0.34

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
SCHEMBL8144900 0.76 ALDH1A1 (0.42) ALDH1A1TDP1POLB
SCHEMBL23986724 0.72 ALDH1A1 (0.37) ALDH1A1TDP1POLB
Methane SCHEMBL27630051 0.68 POLB (0.46) ALDH1A1TDP1POLB
SCHEMBL22427652 0.66 — —
SCHEMBL3841134 0.63 ALDH1A1 (0.54) ALDH1A1TDP1POLB
SCHEMBL2123286 0.63 POLB (0.33) ALDH1A1TDP1POLB
SCHEMBL24531918 0.63 ALDH1A1 (0.36) ALDH1A1TDP1POLB
SCHEMBL27090041 0.63 POLB (0.34) ALDH1A1TDP1POLB
SCHEMBL27537211 0.63 MCL1 (0.41) ALDH1A1TDP1POLB
SCHEMBL31675176 0.62 POLB (0.56) ALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1705468-A Nuclear hormone receptor compounds, products and methods employing same PROCTER & GAMBLE (US) 2005-12-07 — — CN disclosed
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