SCHEMBL9420569

SCHEMBL9420569

CC(O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPT P10636 1/20 0.53
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CES2 O00748 1/20 0.43
SORT1 Q99523 1/20 0.43

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
SCHEMBL1644599 0.89 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6304895 0.86 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4095909 0.82 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4095907 0.82 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL22123243 0.82 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL29615489 0.80 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL29529192 0.79 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2616867 0.79 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5864201 0.79 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3899543 0.79 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456215-A Contain fluorenes or Fluorenone structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2019-03-12 CN disclosed
CN-105693539-B Diamine monomer containing fluorene or fluorenone structure and having high planarity as well as synthesis method and application thereof 湖南工业大学 2019-01-25 CN disclosed
CN-105693539-A Diamine monomer containing fluorene or fluorenone structure and having high planarity as well as synthesis method and application thereof 湖南工业大学 2016-06-22 CN disclosed
EP-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed