Methane

Methane

SCHEMBL28826560

C.CCC(C)(C(=O)O)N(C)C

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 1/20 0.33
RIPK1 Q13546 1/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL3457363 0.97 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL10768836 0.97 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Phosphine SCHEMBL27460282 0.95 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Formic Acid SCHEMBL27709312 0.89 TSHR (0.31) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL11286647 0.79 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Octadecylamine SCHEMBL27622287 0.79 DNM1 (0.45) TSHRALDH1A1MEN1KMT2A
SCHEMBL27782971 0.78 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL3458386 0.78 ALDH1A1 (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL1281593 0.77 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL1281592 0.77 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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-105505598-A Washing salt capable of effectively removing residue parasites on surface of fruits and vegetables and preparation method of washing salt WANG YUCHENG 2016-04-20 CN claimed
CN-105505598-A Washing salt capable of effectively removing residue parasites on surface of fruits and vegetables and preparation method of washing salt WANG YUCHENG 2016-04-20 CN disclosed