Methane

Methane

SCHEMBL6577549

C.Cc1cc(Br)c(OCC2CO2)c(Br)c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
GLA P06280 1/20 0.45
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 2/20 0.36
GAA P10253 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
SCHEMBL1262594 0.98 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL7760750 0.84 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5178208 0.84 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL29719280 0.84 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5704079 0.84 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL29719415 0.84 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL4470150 0.82 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL1263284 0.81 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5704044 0.80 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5704200 0.80 ALDH1A1 (0.41) ALDH1A1GLATP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed