Sugi Predict

Sugi Predict / Compounds / SCHEMBL7030336

SCHEMBL7030336

SCHEMBL7030336

O=[N+]([O-])c1cc(C(F)(c2ccc(O)c([N+](=O)[O-])c2)C(F)(F)C(F)(F)F)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ GPR35 Q9HC97 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL11654910 0.87 GPR35 (0.50) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL31447707 0.83 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL1027549 0.83 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL1026013 0.83 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL4649869 0.83 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL29837196 0.83 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL1026402 0.83 ALDH1A1 (0.56) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL28423458 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDTSHRSMN1; SMN2
SCHEMBL4544532 0.81 MAPK1 (0.50) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL28418924 0.81 TDP1 (0.49) ALDH1A1MAPK1HPGDTSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302944-B Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料有限公司 2021-01-15 — — CN claimed
CN-111302944-A Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料有限公司 2020-06-19 — — CN claimed
CN-105712885-B A kind of process for refining of bis- (3- nitro -4- hydroxy phenyls) hexafluoropropane of 2,2- 连云港市泰卓新材料有限公司 2018-09-04 — — CN claimed
CN-114805094-B Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料股份有限公司 2024-04-02 — — CN disclosed
CN-114805094-A Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料股份有限公司 2022-07-29 — — CN disclosed
CN-111302944-B Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料有限公司 2021-01-15 — — CN disclosed
CN-111302944-A Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料有限公司 2020-06-19 — — CN disclosed
CN-105712885-B A kind of process for refining of bis- (3- nitro -4- hydroxy phenyls) hexafluoropropane of 2,2- 连云港市泰卓新材料有限公司 2018-09-04 — — CN disclosed
CN-105712885-B A kind of process for refining of bis- (3- nitro -4- hydroxy phenyls) hexafluoropropane of 2,2- 连云港市泰卓新材料有限公司 2018-09-04 — — CN disclosed
EP-0895985-B1 Method for producing 2,2-bis(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropane NIPPON KAYAKU KK (JP) 2003-02-05 — — EP disclosed
US-5977413-A Method for producing bis(3-amino-4-hydroxyphenyl) compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-11-02 — — US disclosed
EP-0895985-A2 Method for producing bis(3-amino-4-hydroxyphenyl) compounds Nippon Kayaku Kabushiki Kaisha (JP) 1999-02-10 — — EP disclosed