SCHEMBL1787331

SCHEMBL1787331

CCC[O-].CCC[O-].CCC[O-].Cl[Ti+3]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TSHR P16473 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
SCHEMBL8567876 0.82 TSHR (0.36) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL2729247 0.82 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL16536152 0.82 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL18092559 0.82 CES2 (0.35) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL1783027 0.81 CES1 (0.40) CES2CES1TSHR
SCHEMBL105342 0.80
SCHEMBL6449456 0.80 TSHR (0.33) CES2CES1TSHR
SCHEMBL6449559 0.80 TSHR (0.33) CES2CES1TSHR
SCHEMBL3458910 0.80
SCHEMBL15643453 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8408960-B2 Method of fabricating an organic light emitting diode using phase separation ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2013-04-02 US claimed
US-20120156957-A1 METHOD OF FABRICATING AN ORGANIC LIGHT EMITTING DIODE USING PHASE SEPARATION ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2012-06-21 US claimed
US-20110115367-A1 ORGANIC LIGHT EMITTING DIODE USING PHASE SEPARATION AND METHOD OF FABRICATING THE SAME ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-05-19 US claimed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US claimed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US claimed
US-8408960-B2 Method of fabricating an organic light emitting diode using phase separation ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2013-04-02 US disclosed
US-20120156957-A1 METHOD OF FABRICATING AN ORGANIC LIGHT EMITTING DIODE USING PHASE SEPARATION ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2012-06-21 US disclosed
US-20110115367-A1 ORGANIC LIGHT EMITTING DIODE USING PHASE SEPARATION AND METHOD OF FABRICATING THE SAME ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-05-19 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed