Methane

Methane

SCHEMBL7698380

C.C=C(C)C(=O)OC(O)CC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL25040 0.98 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL28381594 0.96 TSHR (0.42) TSHRALDH1A1THRB
Alcohol SCHEMBL247501 0.94 TSHR (0.41) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL10953670 0.92 TSHR (0.39) TSHRALDH1A1THRB
Trimethylammonium SCHEMBL7056227 0.92 TSHR (0.39) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL10956923 0.92 TSHR (0.39) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL5369165 0.92 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL5366041 0.90 ALDH1A1 (0.58) TSHRALDH1A1THRB
Phosphoric Acid SCHEMBL16296461 0.90 TSHR (0.38) TSHRALDH1A1THRB
Ether SCHEMBL28434783 0.90 THRB (0.48) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348429-B1 POLYMERIZATION INITIATOR OF HIGH MOLECULAR WEIGHT DIACYL PEROXIDE AND TERTIARY AMINE; CEMENTS FOR BIOMEDICAL EQUIPMENT, ORTHOPEDICS, DENTISTRY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-19 US disclosed