SCHEMBL17188010

SCHEMBL17188010

ClC1C=Cc2cccc3cccc1c23

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11035480 0.79 ALDH1A1 (0.36) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL30477081 0.76 HTR2A (0.41) ALDH1A1CYP3A4HPGDHSD17B10MEN1
SCHEMBL5954133 0.76 HTR2A (0.41) ALDH1A1CYP3A4HPGDHSD17B10MEN1
SCHEMBL20473386 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL15322808 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL11177827 0.76 HTR6 (0.39) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL345741 0.76 ALDH1A1 (0.35) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL6541969 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL10965062 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL5613216 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131949-A1 METHODS OF MANUFACTURE OF POLYETHERIMIDES SABIC Global Technologies B.V. (NL) 2017-02-22 EP claimed
WO-2015160933-A1 METHODS OF MANUFACTURE OF POLYETHERIMIDES SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-10-22 WO claimed
CN-100340598-C Water dispersible end capping diisocyanate cross-linking agent and its preparation method GUANGZHOU INST OF CHEMISTRY (CN) 2007-10-03 CN claimed
CN-1865328-A Water dispersible end capping diisocyanate cross-linking agent and its preparation method GUANGZHOU INST OF CHEMISTRY (CN) 2006-11-22 CN claimed
CN-103140530-A High-functionality polyisocyanates having urethane groups BASF SE 2013-06-05 CN disclosed
CN-103003322-A High-functionality polyisocyanates having urethane groups BASF SE 2013-03-27 CN disclosed
CN-101213235-B Coating masses comprising 2,4'-diisocyanatodiphenylmethane BASF AG 2011-05-04 CN disclosed
CN-101888994-A Polyisocyanates containing allophanate groups BASF SE 2010-11-17 CN disclosed
CN-101754990-A Water-dispersible polyisocyanates BASF SE 2010-06-23 CN disclosed
CN-100439430-C Radiation-cured composite sheet or film BASF AG (DE) 2008-12-03 CN disclosed
CN-101213235-A Coating masses comprising 2,4'-diisocyanatodiphenylmethane BASF AG (DE) 2008-07-02 CN disclosed
CN-100340598-C Water dispersible end capping diisocyanate cross-linking agent and its preparation method GUANGZHOU INST OF CHEMISTRY (CN) 2007-10-03 CN disclosed
CN-1922246-A Radiation hardened composite layer plate or film BASF AG (DE) 2007-02-28 CN disclosed
CN-1865328-A Water dispersible end capping diisocyanate cross-linking agent and its preparation method GUANGZHOU INST OF CHEMISTRY (CN) 2006-11-22 CN disclosed