⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5031506 | 0.97 | — | — | |
| SCHEMBL29600843 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL4113248 | 0.57 | — | — | |
| SCHEMBL10915 | 0.57 | — | — | |
| SCHEMBL7408831 | 0.56 | — | — | |
| SCHEMBL9525717 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL17363299 | 0.56 | — | — | |
| SCHEMBL20787073 | 0.56 | — | — | |
| SCHEMBL469710 | 0.54 | — | — | |
| SCHEMBL319178 | 0.54 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3240543-A1 | BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-11-08 | — | — | EP | claimed |
| WO-2016109216-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | claimed |
| EP-3694509-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Nuvation Bio Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074981-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GiraFpharma LLC (US) | 2019-04-18 | — | — | WO | disclosed |
| EP-3313836-A1 | 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR | Takeda Pharmaceutical Company Limited (JP) | 2018-05-02 | — | — | EP | disclosed |
| EP-3240543-A1 | BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2016208775-A1 | 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-29 | — | — | WO | disclosed |
| WO-2016109216-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| WO-2016109221-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| CN-104906106-A | Tumor cell proliferation resistant medicinal composition and application thereof | TAN ZUOHUA | 2015-09-16 | — | — | CN | disclosed |
| WO-2014205593-A1 | SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2014-12-31 | — | — | WO | disclosed |
| WO-2014113932-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-07-31 | — | — | WO | disclosed |
| CN-101687842-B | Modulators of CFTR | VERTEX PHARMA | 2013-03-06 | — | — | CN | disclosed |
| EP-1940845-A1 | NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA | Astra Zeneca AB (SE) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007037743-A1 | NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA | ASTRAZENECA AB (SE) | 2007-04-05 | — | — | WO | disclosed |
| US-4596819-A | Antidepressive agents | WARNER-LAMBERT COMPANY (US) | 1986-06-24 | — | — | US | disclosed |