⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5494402 | 1.00 | — | — | |
| SCHEMBL11525280 | 0.83 | KDM1A (0.38) | — | |
| SCHEMBL17458 | 0.83 | — | — | |
| SCHEMBL530404 | 0.83 | KDM1A (0.38) | — | |
| SCHEMBL665282 | 0.83 | KDM1A (0.38) | — | |
| SCHEMBL27381972 | 0.83 | KDM1A (0.38) | — | |
| Hydrochloric Acid SCHEMBL8308713 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL932936 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8648518 | 0.79 | KDM1A (0.37) | — | |
| Hydrochloric Acid SCHEMBL8648521 | 0.79 | KDM1A (0.37) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3929185-A1 | NITROGEN-CONTAINING FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2021-12-29 | — | — | EP | disclosed |
| WO-2021022890-A1 | CYCLOHEXANAMINE D3/D2 RECEPTOR PARTIAL AGONIST | 上海勋和医药科技有限公司 | 2021-02-11 | — | — | WO | disclosed |
| EP-2802212-B1 | HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES | BASF SE (DE) | 2015-12-30 | — | — | EP | disclosed |
| WO-2013104561-A1 | HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES | BASF SE (DE) | 2013-07-18 | — | — | WO | disclosed |
| EP-1455792-B1 | UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS | HOFFMANN LA ROCHE (CH) | 2007-04-18 | — | — | EP | disclosed |
| US-7019001-B2 | Substituted benzothiazole amide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2006-03-28 | — | — | US | disclosed |
| CN-1602196-A | Ureas of 2-aminobenzothiazoles as adenosine modulators | HOFFMANN LA ROCHE (CH) | 2005-03-30 | — | — | CN | disclosed |
| US-20040229893-A1 | Substituted benzothiazole amide derivatives | FLOHR ALEXANDER (CH) | 2004-11-18 | — | — | US | disclosed |
| US-6727247-B2 | ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMAN-LA ROCHE INC. | 2004-04-27 | — | — | US | disclosed |
| US-20030149036-A1 | Substituted benzothiazole amide derivatives | HOFFMAN-LA ROCHE INC. | 2003-08-07 | — | — | US | disclosed |