SCHEMBL494356

SCHEMBL494356

CCOC(=O)CCCCCCCCCCCCC(=O)OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
DGKA P23743 1/20 0.62
ALDH1A1 P00352 4/20 0.60
ALOX15 P16050 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GAA P10253 2/20 0.59
MGAM O43451 1/20 0.57
SI P14410 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57
PAM P19021 2/20 0.56
NR1I2 O75469 1/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PTGS2 P35354 1/20 0.53
PDE4D Q08499 1/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL8642215 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL6055406 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL494100 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL494584 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL33870 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL495925 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL19066941 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
Diethyl Octadecanedioate SCHEMBL496152 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL440349 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1483107 1.00 CYP1A2 (0.70) CYP1A2DGKAALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772389-A Bio-based polyester containing aliphatic long-chain dibasic acid structure and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-10-15 CN claimed
EP-4326101-A1 AEROSOL-GENERATING ARTICLE AND METHOD FOR PRODUCING AN AEROSOL-GENERATING ARTICLE JT International S.A. (CH) 2024-02-28 EP claimed
CN-117222330-A Aerosol-generating article and method of producing an aerosol-generating article 日本烟草国际股份有限公司 2023-12-12 CN claimed
WO-2022223547-A1 AEROSOL-GENERATING ARTICLE AND METHOD FOR PRODUCING AN AEROSOL-GENERATING ARTICLE JT INTERNATIONAL S.A. (CH) 2022-10-27 WO claimed
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 EP claimed
US-5928765-A Recording sheets XEROX CORPORATION (US) 1999-07-27 US claimed
EP-0674233-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed
CN-118772389-A Bio-based polyester containing aliphatic long-chain dibasic acid structure and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-10-15 CN disclosed
US-20240156152-A1 Aerosol-Generating Article and Method for Producing an Aerosol-Generating Article JT INTERNATIONAL SA (CH) 2024-05-16 US disclosed
WO-2024096541-A1 POLYESTER POLYOL, METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING POLYURETHANE THEREBY, POLYURETHANE, AND INSULATION MATERIAL 케이피엑스케미칼 주식회사 2024-05-10 WO disclosed
WO-2024096542-A1 POLYURETHANE FOAM, METHOD FOR PRODUCING SAME, AND INSULATION MATERIAL COMPRISING SAME 케이피엑스케미칼 주식회사 2024-05-10 WO disclosed
EP-4326101-A1 AEROSOL-GENERATING ARTICLE AND METHOD FOR PRODUCING AN AEROSOL-GENERATING ARTICLE JT International S.A. (CH) 2024-02-28 EP disclosed
CN-117222330-A Aerosol-generating article and method of producing an aerosol-generating article 日本烟草国际股份有限公司 2023-12-12 CN disclosed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 EP disclosed
US-5741882-A REACTING DIESTER OF DIBASIC ALIPHATIC ACID WITH ALIPHATIC GLYCOL BY ADDING CATALYST PORTIONWISE AT LEAST TWICE AT INTERVAL OF AT LEAST TEN MINUTES TONEN CORPORATION (JP) 1998-04-21 US disclosed
EP-0703260-A1 Aliphatic polyester and a process for the preparation thereof Tonen Corporation (JP) 1996-03-27 EP disclosed
EP-0674233-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP disclosed
US-5451458-A Electrography XEROX CORPORATION (US) 1995-09-19 US disclosed
US-4961867-A Process for preventing corrosion of metals by contacting them with compositions prepared from amino substituted pyrazines and carboxylic acids carboxylic acid anhydrides, carboxylic acid, esters or carboxylic acid halides THE DOW CHEMICAL COMPANY (US) 1990-10-09 US disclosed
US-4861884-A OIL WELL CORROSION INHIBITOR THE DOW CHEMICAL COMPANY (US) 1989-08-29 US disclosed