SCHEMBL8945596

SCHEMBL8945596

O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
ESR2 Q92731 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL6936160 0.98 ESR1 (0.53) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL1996059 0.94 ESR1 (0.41) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL2516412 0.92 ESR1 (0.54) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL6654478 0.87 ESR1 (0.38) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL1996689 0.87 TDP1 (0.53) ESR1TSHRALDH1A1SLC6A2TDP1
SCHEMBL1996495 0.87 TDP1 (0.53) ESR1TSHRALDH1A1SLC6A2TDP1
SCHEMBL6655945 0.85 ESR1 (0.39) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL9578640 0.85 ESR1 (0.49) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL1996726 0.85 TDP1 (0.54) ESR1TSHRALDH1A1SLC6A2TDP1
SCHEMBL13790251 0.85 TDP1 (0.47) ESR1ALDH1A1SLC6A2TDP1LMNA

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-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 WO disclosed
US-5514518-A CHANGE IN POLARITY UPON EXPOSURE REDUCES ADHESIVENESS FUJI PHOTO FILM CO., LTD. (JP) 1996-05-07 US disclosed
US-5312905-A Image forming materials FUJI PHOTO FILM CO., LTD. (JP) 1994-05-17 US disclosed
EP-0468531-A1 2-Diazo-1,2-quinone compounds and image forming materials prepared using the compounds FUJI PHOTO FILM CO., LTD. (JP) 1992-01-29 EP disclosed