SCHEMBL9348376

SCHEMBL9348376

O=C(NCC(F)(F)F)NCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CETP P11597 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL124496 0.87 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL26333091 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL17028976 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL902364 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL965910 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL10952291 0.83 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL11341259 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTL3MBTL1CETP
Hydrochloric Acid SCHEMBL2531654 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTL3MBTL1CETP
Hydrochloric Acid SCHEMBL1695238 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTL3MBTL1CETP
SCHEMBL23433831 0.80 EPHX1 (0.61) HTT

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
WO-2023198516-A1 PROCESS FOR THE PREPARATION OF 1,1,1-TRIFLUORO-2-ISOTHIOCYANATOETHANE BAYER AKTIENGESELLSCHAFT (DE) 2023-10-19 WO disclosed
US-20150221987-A1 ELECTROLYTIC SOLUTION FOR NON-AQUEOUS SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-08-06 US disclosed
EP-0610472-A1 STEROIDS WITH A FLUORINATED ACYLUREIDIC TYPE SIDE CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1994-08-17 EP disclosed
WO-1994003474-A1 STEROIDS WITH A FLUORINATED ACYLUREIDIC TYPE SIDE CHAIN PHARMACIA/FARMITALIA CARLO ERBA SRL (IT) 1994-02-17 WO disclosed
US-4690916-A ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed