SCHEMBL6139417

SCHEMBL6139417

OC(C#Cc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
THPO P40225 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B2 P37059 1/20 0.34
BLM P54132 1/20 0.33

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
SCHEMBL2799878 0.79 APP (0.44) APPMAPTLMNAALDH1A1HPGD
SCHEMBL18105076 0.75 APP (0.55) APPMAPTLMNAALDH1A1HPGD
SCHEMBL19062293 0.75 APP (0.55) APPMAPTLMNAALDH1A1HPGD
SCHEMBL1657799 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD
SCHEMBL1657802 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD
SCHEMBL24081316 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD
SCHEMBL9389594 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD
SCHEMBL28900542 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD
SCHEMBL2311776 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD
SCHEMBL9119338 0.71 APP (0.50) APPMAPTLMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59164741-A None JP disclosed
CN-114409501-B Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source 云南民族大学 2024-05-10 CN disclosed
CN-114409501-A Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source 云南民族大学 2022-04-29 CN disclosed
EP-1476423-A4 ARYLSULFONAMIDOBENZYLIC COMPOUNDS TULARIK INC (US) 2005-12-14 EP disclosed
EP-1476423-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS Tularik Inc. (US) 2004-11-17 EP disclosed
WO-2003063576-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS TULARIK INC. (US) 2003-08-07 WO disclosed
US-4532020-A Reacting alkyne with fluorine-containing aldehyde in presence of catalyst under ultrasonic irradiation DAIKIN KOGYO CO., LTD. (JP) 1985-07-30 US disclosed
EP-0118890-A1 Process for preparing a beta-(fluoroalkyl or fluoroalkenyl)-beta-hydroxyalkyne and an alpha-(fluoroalkyl or fluoroalkenyl)-allyl alcohol thereof Daikin Kogyo Co., Ltd. (JP) 1984-09-19 EP disclosed
JP-S59164741-A PREPARATION OF BETA-(FLUOROALKYL OR ALKENYL)-BETA- HYDROXYALKYNE DAIKIN IND LTD 1984-09-17 JP disclosed