Sugi Predict

Sugi Predict / Compounds / Fluoromethane

Fluoromethane

Fluoromethane

SCHEMBL9702099

CC(C)(C)c1cccc(C(C)(C)C)c1OP(O)Oc1c(C(C)(C)C)cccc1C(C)(C)C.CF

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.45
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL5437245 0.96 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8394955 0.89 CA2 (0.42) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8389885 0.85 GABRA1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8394952 0.84 CA2 (0.45) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1649534 0.83 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL31376369 0.83 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9699984 0.83 CA2 (0.37) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29065638 0.80 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28013665 0.80 NPC1 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8391489 0.79 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR

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-5128066-A For polymers ETHYL CORPORATION (US) 1992-07-07 — — US disclosed