⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16739294 | 0.76 | ALOX5 (0.38) | — | |
| SCHEMBL5029802 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL910933 | 0.73 | — | — | |
| SCHEMBL16739314 | 0.70 | ALOX5 (0.44) | — | |
| SCHEMBL921716 | 0.69 | — | — | |
| SCHEMBL16739302 | 0.69 | FAAH (0.43) | — | |
| Pentane SCHEMBL3799701 | 0.68 | TSHR (0.54) | — | |
| SCHEMBL19692313 | 0.67 | ALOX5 (0.42) | — | |
| SCHEMBL19691905 | 0.67 | ALOX5 (0.42) | — | |
| SCHEMBL919373 | 0.65 | — | — |
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 278 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024110608-A1 | PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | NEURALIS (BE) | 2024-05-30 | — | — | WO | disclosed |
| CN-117343058-A | Substituted 7-azaindole-3-carboxylic acid Mcl-1 protein inhibitor and preparation method and application thereof | 湖南科技大学 | 2024-01-05 | — | — | CN | disclosed |
| EP-3452477-B1 | ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B C I PHARMA (BE) | 2023-09-13 | — | — | EP | disclosed |
| WO-2023094606-A1 | WATERBORNE ADHESIVE AND/OR SEALANT COMPOSITION | SOUDAL (BE) | 2023-06-01 | — | — | WO | disclosed |
| CN-115477684-A | Substituted 3-thiazolidine-2,4-diketone Mcl-1 protein inhibitor, preparation method and application | 湖南科技大学 | 2022-12-16 | — | — | CN | disclosed |
| US-20220388979-A1 | QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B.C.I. PHARMA (BE) | 2022-12-08 | — | — | US | disclosed |
| US-11376260-B2 | Serine/threonine kinase inhibitors | GENENTECH, INC. (US) | 2022-07-05 | — | — | US | disclosed |
| EP-4010330-A1 | QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B.C.I. Pharma (BE) | 2022-06-15 | — | — | EP | disclosed |
| CN-114391009-A | Quinoline derivatives as protein kinase inhibitors | BCI制药公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-109311882-B | Adenine derivatives as protein kinase inhibitors | BCI制药公司 | 2022-02-11 | — | — | CN | disclosed |
| WO-2001040246-A1 | PARTIAL OR FULL A1 AGONISTS - N6 HETEROCYCLIC 5'-THIO SUBSTITUTED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| WO-2001040245-A1 | N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| WO-2001040244-A1 | N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| US-6214807-B1 | IMAGES AND CARDIOVASCULAR DISORDERS | CV THERAPEUTICS, INC. | 2001-04-10 | — | — | US | disclosed |
| US-6180615-B1 | STIMULATE MAMMALIAN CORONARY VASODILATATION FOR THERAPEUTIC PURPOSES AND FOR PURPOSES OF IMAGING THE HEART | CV THERAPEUTICS, INC. | 2001-01-30 | — | — | US | disclosed |
| WO-2000078779-A2 | N-PYRAZOLE A2A RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |
| WO-2000078778-A2 | C-PYRAZOLE A2A RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |
| WO-2000078777-A1 | PROPARGYL PHENYL ETHER A2A RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |
| WO-2000071558-A1 | ORALLY ACTIVE A1 ADENOSINE RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| WO-2000044750-A1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) | CV THERAPEUTICS, INC. (US) | 2000-08-03 | — | — | WO | disclosed |