SCHEMBL958745

SCHEMBL958745

O=[N+]([O-])C(O)CO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Terephthalic Acid SCHEMBL27982891 0.78 TDP1 (0.52)
SCHEMBL3800523 0.77
SCHEMBL6671112 0.75
Water SCHEMBL11436356 0.75 ALDH1A1 (0.38)
SCHEMBL6671110 0.75
SCHEMBL28959540 0.73
SCHEMBL11501687 0.73
SCHEMBL10823914 0.73
SCHEMBL11413190 0.73
SCHEMBL5378294 0.73

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-114956918-A Non-explosive emulsion explosive smell simulation agent and preparation technology 管晓渝 2022-08-30 CN claimed
US-12012375-B2 Prostaglandin F2 alpha derivatives for decreasing intraocular pressure GURUS BIOPHARM LIMITED LIABILITY COMPANY (RU) 2024-06-18 US disclosed
CN-112154139-B Prostaglandin F2 alpha derivatives for ocular hypotension 古鲁生物制药有限公司 2023-11-07 CN disclosed
CN-114956918-A Non-explosive emulsion explosive smell simulation agent and preparation technology 管晓渝 2022-08-30 CN disclosed
CN-109014242-B Preparation method of high-length-diameter ratio nano silver wire 昆明理工大学 2021-08-20 CN disclosed
US-20210230111-A1 PROSTAGLANDIN F2 ALPHA DERIVATIVES FOR DECREASING INTRAOCULAR PRESSURE KOFF INVESTMENTS LLP (GB) 2021-07-29 US disclosed
CN-111170933-B Preparation method of 2-chloro-5-nitropyridine 新发药业有限公司 2021-07-20 CN disclosed
CN-109374566-B Method and system for measuring content of mixed alcohol 湖北航天化学技术研究所 2021-06-11 CN disclosed
EP-3795562-A1 PROSTAGLANDIN F2 ALPHA DERIVATIVES FOR DECREASING INTRAOCULAR PRESSURE Gurus Biopharm Limited Liability Company (RU) 2021-03-24 EP disclosed
CN-112154139-A Prostaglandin F2 alpha derivatives for lowering intraocular pressure 古鲁生物制药有限公司 2020-12-29 CN disclosed
CN-106572957-B Skin color improving agent and composition for improving skin color 昭和电工株式会社 2020-03-27 CN disclosed
WO-2019176079-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLE, LIPID PARTICLE-CONTAINING COMPOSITION, AND KIT 株式会社 東芝 2019-09-19 WO disclosed
US-9125856-B1 Method of stabilizing human eye tissue THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-09-08 US disclosed
CN-102203055-A Nitric oxide releasing amino acid ester compound, composition and method of use NITROGENIX INC 2011-09-28 CN disclosed
US-7868035-B2 Therapeutic esters ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-7691785-B2 Pyridine-3-ketone compound; plant growth controllers SYNGENTA CROP PROTECTION, INC. (US) 2010-04-06 US disclosed
US-20090012145-A1 THERAPEUTIC ESTERS WOODWARD DAVID F 2009-01-08 US disclosed
US-20080274891-A1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-7378375-B1 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-05-27 US disclosed
WO-2006083841-A2 THERAPEUTIC ESTERS ALLERGAN, INC. (US) 2006-08-10 WO disclosed