SCHEMBL6681599

SCHEMBL6681599

OCCC(c1cccc(C(CCO)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.39
PGK2 P07205 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CES2 O00748 1/20 0.34
MGLL Q99685 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PNMT P11086 1/20 0.33
ACP3 P15309 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
IDH2 P48735 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
IDO1 P14902 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
SCHEMBL6680835 0.85 ALDH1A1 (0.42) MEN1KMT2ANR1H2NR1H3TSHR
SCHEMBL6680836 0.82 NR1H2 (0.41) PGK1PGK2NR1H2NR1H3ESR1
SCHEMBL24087499 0.73 MLYCD (0.42) MEN1KMT2ANR1H2NR1H3TSHR
SCHEMBL30788987 0.73 CA1 (0.37) NR1H2NR1H3ESR1ESR2
SCHEMBL6980412 0.72 CES2 (0.44) MEN1KMT2ACES2MGLLPNMT
SCHEMBL14874502 0.70 PGK1 (0.33) PGK1PGK2MEN1KMT2APNMT
SCHEMBL12350199 0.67 TSHR (0.52) MEN1KMT2APNMTTSHRMAPK1
SCHEMBL5476864 0.67 CTSK (0.41) MEN1KMT2ACES2MGLLPNMT
SCHEMBL27491062 0.67 TSHR (0.46) PGK1PGK2MEN1KMT2ATSHR
SCHEMBL2015017 0.67 TSHR (0.46) PGK1PGK2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084860-B1 Thermochromic microencapsulated pigments PILOT INK CO LTD (JP) 2004-11-24 EP disclosed
EP-0908501-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 2003-07-09 EP disclosed
US-6494950-B1 FOUR ESSENTIAL COMPONENTS (A) AN ELECTRON-DONATING CHROMATIC ORGANIC COMPOUND, (B) AN ELECTRON-ACCEPTING COMPOUND, (C) A REACTION MEDIUM DETERMINING THE TEMPERATURES AT WHICH THE COLOR REACTIONS OF COMPONENT (A) WITH COMPONENT (B) TAKE THE PILOT INK CO., LTD. (JP) 2002-12-17 US disclosed
EP-1084860-A2 Thermochromic microencapsulated pigments THE PILOT INK CO., LTD. (JP) 2001-03-21 EP disclosed
US-6048387-A SPECIFIED DIAZARHODAMINE LACTONE DERIVATIVE AS AN ELECTRON-DONATING COLOR-DEVELOPING ORGANIC COMPOUND THE PILOT INK CO., LTD. (JP) 2000-04-11 US disclosed
EP-0908501-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1999-04-14 EP disclosed