SCHEMBL3889830

SCHEMBL3889830

CCOS(=O)(=O)c1ccc(C)cc1OCCOCCOC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4420431 0.96 L3MBTL1 (0.42) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28541140 0.92 ALDH1A1 (0.43) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL21219198 0.91 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28559501 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL21751770 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28631026 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL22973084 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28427275 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28351010 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL28537870 0.87 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677610-A Water-soluble neuro-dyes for in vivo neural specific imaging 俄勒冈健康与科学大学 2024-03-08 CN disclosed
CN-110483335-B Amyloid targeting agents and methods of use thereof 阿米达斯公司 2023-08-11 CN disclosed
CN-111171060-B Pyridine-containing boron dipyrrole and quaternary ammonium salt photosensitizer thereof, and preparation method and application thereof 复旦大学 2023-03-17 CN disclosed
CN-108690045-B Diarylethene compounds and uses thereof 首诺加拿大公司 2022-08-30 CN disclosed
CN-112521529-B LED sensitive distyryl oxime ester photoinitiator and preparation and application thereof 同济大学 2022-07-08 CN disclosed
CN-108727407-B Novel benzodiazepine derivatives 伊缪诺金公司 2022-01-28 CN disclosed
CN-113677731-A Graphene nanoribbons and methods of making the same 田冈化学工业株式会社 2021-11-19 CN disclosed
CN-107335061-B Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2021-09-07 CN disclosed
CN-113166634-A Fluorinated amine oxide surfactants 3M创新有限公司 2021-07-23 CN disclosed
WO-2021085528-A1 CD4 MIMIC COMPOUND WITH ANTI-HIV ACTIVITY 国立大学法人熊本大学 2021-05-06 WO disclosed
CN-111868146-A Composite materials comprising mechanical ligands 纳诺科尔有限公司 2020-10-30 CN disclosed
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN disclosed
WO-2020184625-A1 GRAPHENE NANORIBBON AND METHOD FOR PRODUCING SAME 国立大学法人東海国立大学機構 2020-09-17 WO disclosed
US-20200270419-A1 PHOTON UPCONVERSION FILM AND METHOD FOR PRODUCING THE SAME WAKAYAMA PREFECTURE (JP) 2020-08-27 US disclosed
CN-111171060-A Pyridine-containing boron dipyrrole and quaternary ammonium salt photosensitizer thereof, and preparation method and application thereof 复旦大学 2020-05-19 CN disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 CN disclosed
CN-105198908-B Novel benzodiazepine derivatives 伊缪诺金公司 2019-12-24 CN disclosed
EP-3519386-A1 NOVEL PI-CONJUGATED MATERIALS, METHODS FOR PREPARING SAME AND USES THEREOF AS SEMICONDUCTORS Degbia, Martial (FR) 2019-08-07 EP disclosed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO disclosed