Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL2463091

C.Nc1ccc(-c2c(CC3CO3)c(CC3CO3)c(N)c(CC3CO3)c2CC2CO2)cc1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9857428 0.98 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TDP1
Methylamine SCHEMBL29171068 0.97 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4TDP1
Methane SCHEMBL27135958 0.79 MAP4K4 (0.35) ALDH1A1TP53CYP3A4
SCHEMBL11157208 0.79 MAOA (0.30) —
SCHEMBL132722 0.78 ALDH1A1 (0.35) ALDH1A1TP53TDP1
SCHEMBL23277041 0.77 CYP3A4 (0.42) ALDH1A1CYP3A4TDP1
SCHEMBL28347832 0.77 TDP1 (0.36) CYP3A4TDP1
SCHEMBL2463090 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL821135 0.75 MAOA (0.38) —
SCHEMBL16752042 0.74 CYP3A4 (0.39) CYP3A4

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
US-20110227228-A1 FILLING COMPOSITION, SEMICONDUCTOR DEVICE INCLUDING THE SAME, AND METHOD OF FABRICATING THE SEMICONDUCTOR DEVICE ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-09-22 — — US claimed
US-20110227228-A1 FILLING COMPOSITION, SEMICONDUCTOR DEVICE INCLUDING THE SAME, AND METHOD OF FABRICATING THE SEMICONDUCTOR DEVICE ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-09-22 — — US disclosed