SCHEMBL298203

SCHEMBL298203

[O]c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALPL P05186 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.44
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP2A6 P11509 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GALR1 P47211 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL16050548 0.85 ALDH1A1 (0.50) PTPN1KDM4EALPLGAAPOLB
SCHEMBL25302086 0.84 ALDH1A1 (0.59) PTPN1KDM4EALPLGAAPOLB
SCHEMBL27953 0.84 ALDH1A1 (0.59) PTPN1KDM4EALPLGAAPOLB
SCHEMBL29350007 0.84 ALDH1A1 (0.59) PTPN1KDM4EALPLGAAPOLB
Hydrochloric Acid SCHEMBL4268575 0.82 ALDH1A1 (0.56) PTPN1KDM4EALPLGAAPOLB
Bromide SCHEMBL7106161 0.82 ALDH1A1 (0.56) PTPN1KDM4EALPLGAAPOLB
Bromide SCHEMBL8588309 0.82 ALDH1A1 (0.56) PTPN1KDM4EALPLGAAPOLB
SCHEMBL6077039 0.82 ALDH1A1 (0.56) PTPN1KDM4EALPLGAAPOLB
SCHEMBL2638067 0.82 ALDH1A1 (0.56) PTPN1KDM4EALPLGAAPOLB
Ammonia Solution, Strong SCHEMBL3156160 0.82 ALDH1A1 (0.56) PTPN1KDM4EALPLGAAPOLB

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651836-A Organic compound and organic electroluminescent device containing same 清华大学 2021-11-16 CN claimed
CN-110746425-B Organic compound and application thereof 清华大学 2020-12-01 CN claimed
CN-111943949-A Organic compound, application thereof and organic electroluminescent device containing organic compound 清华大学 2020-11-17 CN claimed
CN-110746425-A Novel organic compound and application thereof 清华大学 2020-02-04 CN claimed
CN-102977080-A Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC 2013-03-20 CN claimed
CN-101180575-B Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC 2013-01-02 CN claimed
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US claimed
CN-101239954-A Triazine compounds and triazine compounds polymers comprising triazine structural units, and processes for the preparation of these polymers GEN ELECTRIC (US) 2008-08-13 CN claimed
CN-101180575-A Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC (US) 2008-05-14 CN claimed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US claimed
US-20050192411-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC CO. 2005-09-01 US claimed
CN-1564814-A Triazine compound, polymer containing triazine structural unit, and method for producing same GEN ELECTRIC (US) 2005-01-12 CN claimed
EP-1423372-A2 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2004-06-02 EP claimed
US-20030078347-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY 2003-04-24 US claimed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO claimed
CN-1234796-A Noval substituted naphthopyrans PPG INDUSTRIES INC (US) 1999-11-10 CN claimed
CN-111943949-B Organic compound, application thereof and organic electroluminescent device containing compound 清华大学 2022-05-20 CN disclosed
CN-113651836-A Organic compound and organic electroluminescent device containing same 清华大学 2021-11-16 CN disclosed
EP-0706983-A1 Process for producing alpha-olefin oligomers MITSUBISHI CHEMICAL CORPORATION (JP) 1996-04-17 EP disclosed
EP-0611743-A2 Process for producing alpha-olefin oligomer compositions Mitsubishi Chemical Corporation (JP) 1994-08-24 EP disclosed