Methane

Methane

SCHEMBL28409090

C.CCCOP(=O)(OCCC)OCCC

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
LPAR3 Q9UBY5 3/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL104844 0.97 CYP3A4 (0.68) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL31023525 0.94 CYP3A4 (0.65) CYP3A4TSHRALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11326091 0.94 CYP3A4 (0.65) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL575225 0.88 TSHR (0.72) CYP3A4TSHRALDH1A1MEN1KMT2A
Triethyl Phosphate SCHEMBL10784239 0.88 TSHR (0.72) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL575634 0.88 TSHR (0.72) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL108254 0.88 CYP3A4 (0.75) CYP3A4TSHRALDH1A1LPAR3LPAR1
Alcohol SCHEMBL28898597 0.88 CYP3A4 (0.59) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL116462 0.86 CYP3A4 (0.74) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL1724998 0.86 CYP3A4 (0.90) CYP3A4TSHRLPAR3LPAR1LPAR2

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-111296464-A Weeding composition containing pinoxaden 利尔化学股份有限公司 2020-06-19 CN claimed
CN-111296464-A Weeding composition containing pinoxaden 利尔化学股份有限公司 2020-06-19 CN disclosed