⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17164603 | 1.00 | CYP1A2 (0.55) | — | |
| SCHEMBL105210 | 1.00 | — | — | |
| SCHEMBL2599566 | 1.00 | — | — | |
| SCHEMBL105145 | 0.97 | CYP1A2 (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL20582897 | 0.97 | TDP1 (0.55) | — | |
| SCHEMBL6737976 | 0.97 | CYP1A2 (0.52) | — | |
| SCHEMBL10884759 | 0.97 | CYP1A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL8052774 | 0.97 | CYP1A2 (0.52) | — | |
| SCHEMBL106819 | 0.97 | CYP1A2 (0.52) | — | |
| Ethane SCHEMBL5873454 | 0.97 | CYP1A2 (0.52) | — |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104610363-B | Phosphorous amide ligand and its preparation method and application | 中山大学 | 2018-04-10 | — | — | CN | claimed |
| CN-106831862-A | Axial chirality monophosphorus ligand of one class chirality bridging and preparation method thereof | 中山大学 | 2017-06-13 | — | — | CN | claimed |
| CN-102875601-B | Phosphine-oxazoline ligand and ionic type metal title complex thereof and its enantiomorph or raceme preparation method and application | SUN YAT-SEN UNIVERSITY (CN) | 2016-03-09 | — | — | CN | claimed |
| CN-102532196-B | Phosphine ligands and enantiomorph or raceme and preparation method thereof | SUN YAT-SEN UNIVERSITY (CN) | 2015-09-02 | — | — | CN | claimed |
| CN-104610363-A | Phosphoramidite ligand as well as preparation method and application thereof | UNIV SUN YAT SEN | 2015-05-13 | — | — | CN | claimed |
| CN-102875601-A | Preparation method and application for phosphine-oxazoline ligand, and ionic metal complex, enantiomer or racemate thereof | UNIV SUN YAT SEN | 2013-01-16 | — | — | CN | claimed |
| EP-1504002-B1 | METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINOKETONES AND OPTICALLY ACTIVE 1,3-AMINOALCOHOLS | SANOFI AVENTIS DEUTSCHLAND (DE) | 2012-12-19 | — | — | EP | claimed |
| CN-102532196-A | Phosphine ligand and enantiomer or racemic body thereof and preparation methods thereof | UNIV SUN YAT SEN | 2012-07-04 | — | — | CN | claimed |
| CN-102516300-A | Phosphine ligands, enantiomers or racemates thereof, and preparation methods of above | UNIV SUN YAT SEN | 2012-06-27 | — | — | CN | claimed |
| US-7161008-B2 | Optically active β-aminoketones, optically active 1,3-amino alcohols and processes for preparing them | Sanofi - Aventis Deutschland GmbH (DE) | 2007-01-09 | — | — | US | claimed |
| US-20040030145-A1 | Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-02-12 | — | — | US | claimed |
| CN-119019400-A | Prodrugs of GS-441524 and medical application thereof | 中国药科大学 | 2024-11-26 | — | — | CN | disclosed |
| US-20230256109-A1 | Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy | TAMBO, INC. | 2023-08-17 | — | — | US | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-11236122-B2 | Triterpene amine derivatives | DFH THERAPEUTICS (US) | 2022-02-01 | — | — | US | disclosed |
| WO-2001034209-A1 | LIGANDS FOR α7 NICOTINIC ACETYLCHOLINE RECEPTORS BASED ON METHYLLYCACONITINE | RESEARCH TRIANGLE INSTITUTE (US) | 2001-05-17 | — | — | WO | disclosed |
| US-5997840-A | A BEA TOPOLOGY ZEOLITE AND A METAL-BINAP COMPLEX | K.V. LEUVEN RESEARCH & DEVELOPMENT (BE) | 1999-12-07 | — | — | US | disclosed |
| EP-0855935-A1 | CHIRAL SOLID CATALYST, ITS PREPARATION AND ITS USE FOR THE PRODUCTION OF SUBSTANTIALLY ENANTIOMERICALLY PURE PRODUCTS | K.U. Leuven Research & Development (BE) | 1998-08-05 | — | — | EP | disclosed |
| WO-1997014500-A1 | CHIRAL SOLID CATALYST, ITS PREPARATION AND ITS USE FOR THE PRODUCTION OF SUBSTANTIALLY ENANTIOMERICALLY PURE PRODUCTS | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 1997-04-24 | — | — | WO | disclosed |
| US-5321139-A | Amination of phenylitaconic anhydride, catalytic reduction of formed amide; renin inhibitor | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-14 | — | — | US | disclosed |