Methane

Methane

SCHEMBL21489530

Brc1ccc(Br)cc1.C.C

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.89
ALDH1A1 P00352 4/20 0.57
ALOX15 P16050 2/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
TSHR P16473 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
PLAU P00749 1/20 0.40
MAPT P10636 1/20 0.40
PLCG1 P19174 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL18508 0.94
SCHEMBL3138002 0.89
SCHEMBL21518322 0.89
SCHEMBL9496102 0.89 CYP2A6 (0.89) CYP2A6ALDH1A1ALOX15MAPK1TDP1
Methyl Alcohol SCHEMBL5898895 0.80 CYP2A6 (0.73) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL22288158 0.80 CYP2A6 (0.73) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL1673427 0.80 ALDH1A1 (0.73) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL9635137 0.80 CYP2A6 (0.73) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL9635143 0.80 CYP2A6 (0.73) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL68094 0.80 ALDH1A1 (0.73) CYP2A6ALDH1A1ALOX15MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11167251-B2 Porous membranes including pentablock copolymers and method of making the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-11-09 US disclosed
EP-3545023-B1 PENTABLOCK COPOLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2020-11-04 EP disclosed
US-10781279-B2 Pentablock copolymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-09-22 US disclosed
US-20200047135-A1 POROUS MEMBRANES INCLUDING PENTABLOCK COPOLYMERS AND METHOD OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2020-02-13 US disclosed
US-20190322788-A1 PENTABLOCK COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2019-10-24 US disclosed