⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16425793 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL11321316 | 0.81 | — | — | |
| SCHEMBL31278397 | 0.79 | HAO1 (0.43) | — | |
| SCHEMBL11323972 | 0.79 | TDP1 (0.36) | — | |
| SCHEMBL6133067 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL626926 | 0.78 | — | — | |
| SCHEMBL651636 | 0.78 | — | — | |
| SCHEMBL126506 | 0.78 | MGAM (0.50) | — | |
| SCHEMBL9157319 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL3074164 | 0.77 | LDHA (0.47) | — |
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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024126625-A1 | KERATIN MATERIAL TREATMENT PROCESS USING AT LEAST ONE POLYSACCHARIDE COMPOUND BEARING ACETOACETATE FUNCTIONS | L'OREAL (FR) | 2024-06-20 | — | — | WO | claimed |
| CN-116496296-A | Dolutegravir derivative with anti-tumor function and preparation method thereof | 河南师范大学 | 2023-07-28 | — | — | CN | claimed |
| CN-116003435-A | Efficient green preparation method of dolutegravir | 河南师范大学 | 2023-04-25 | — | — | CN | claimed |
| CN-115746022-A | Preparation method and application of caspovir derivative | 河南科技大学 | 2023-03-07 | — | — | CN | claimed |
| EP-2549870-B1 | PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES | VIIV HEALTHCARE CO (US) | 2017-04-19 | — | — | EP | claimed |
| EP-1292555-B1 | CATALYTIC HYDROGENATION OF KETONES AND ALDEHYDES | DU PONT (US) | 2004-03-03 | — | — | EP | claimed |
| EP-1292555-A2 | CATALYTIC HYDROGENATION OF KETONES AND ALDEHYDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2003-03-19 | — | — | EP | claimed |
| US-6462206-B1 | REDUCING KETONES AND ALDEHYDES TO THE CORRESPONDING ALCOHOL OR ALKYL GROUP, USING H2 GAS AS THE STOICHIOMETRIC REDUCTANT; FORMING CORRESPONDING LACTONES | E. I. DU PONT DE NEMOURS AND COMPANY | 2002-10-08 | — | — | US | claimed |
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |
| WO-2001098238-A2 | CATALYTIC HYDROGENATION OF KETONES AND ALDEHYDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2001-12-27 | — | — | WO | claimed |
| EP-0912467-A1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE (FR) | 1999-05-06 | — | — | EP | claimed |
| WO-1998000375-A1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE (FR) | 1998-01-08 | — | — | WO | claimed |
| WO-2026101812-A1 | HIV INTEGRASE INHIBITORS FOR TREATMENT OF HIV INFECTION | MERCK SHARP & DOHME LLC (US) | 2026-05-15 | — | — | WO | disclosed |
| CN-119569706-A | Therapeutic compounds | 希四克斯探索有限公司 | 2025-03-07 | — | — | CN | disclosed |
| CN-112996785-B | Therapeutic compounds | 希四克斯探索有限公司 | 2024-12-06 | — | — | CN | disclosed |
| WO-2024126625-A1 | KERATIN MATERIAL TREATMENT PROCESS USING AT LEAST ONE POLYSACCHARIDE COMPOUND BEARING ACETOACETATE FUNCTIONS | L'OREAL (FR) | 2024-06-20 | — | — | WO | disclosed |
| US-5786472-A | CATALYTIC CONDENSATION OF UREA WITH DIKETONES USIN BORON REAGENT AND ACID CATALYST | MERCK & CO., INC. (US) | 1998-07-28 | — | — | US | disclosed |
| WO-1998000375-A1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE (FR) | 1998-01-08 | — | — | WO | disclosed |
| WO-1997021687-A1 | PROCESS FOR MAKING DIHYDROPYRIMIDINONES | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |
| WO-1996033972-A1 | METHODS FOR SYNTHESIZING DIVERSE COLLECTIONS OF PYRIDINES, PYRIMIDINES, 1,4-DIHYDRO DERIVATIVES THEREOF, AND PIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1996-10-31 | — | — | WO | disclosed |