Fluoromethane

Fluoromethane

SCHEMBL9701259

CC(C)(C)c1ccc(OP(O)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.CF

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL295242 0.96 ALDH1A1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29878455 0.96 ALDH1A1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL7612416 0.95 APEX1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1705527 0.90 APEX1 (0.36) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27889522 0.89 APEX1 (0.41) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27854618 0.89 APEX1 (0.36) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL11267743 0.89 TSHR (0.38) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5073842 0.87 TRPV1 (0.37) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9793561 0.87 APEX1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1705525 0.86 APEX1 (0.38) APEX1ALDH1A1HPGDALOX15HSD17B10

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