⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4321186 | 1.00 | — | — | |
| SCHEMBL15614617 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4325316 | 0.98 | RAB9A (0.40) | — | |
| SCHEMBL3409533 | 0.87 | NAMPT (0.40) | — | |
| SCHEMBL25979887 | 0.87 | NAMPT (0.40) | — | |
| SCHEMBL9956491 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL23148664 | 0.82 | NPC1 (0.36) | — | |
| SCHEMBL9990084 | 0.80 | — | — | |
| SCHEMBL12331137 | 0.80 | — | — | |
| SCHEMBL23022783 | 0.80 | — | — |
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-2903979-B1 | NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES | INHIBIKASE THERAPEUTICS INC (US) | 2020-08-19 | — | — | EP | claimed |
| EP-2895482-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-10-19 | — | — | EP | claimed |
| WO-2023069708-A1 | COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF | MONTE ROSA THERAPEUTICS, INC. (US) | 2023-04-27 | — | — | WO | disclosed |
| EP-2794600-B1 | 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis | NOVARTIS AG (CH) | 2017-12-06 | — | — | EP | disclosed |
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |
| US-7671072-B2 | Aminopyrazole derivatives as GSK-3 inhibitors | PFIZER INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-20070276010-A1 | Aminopyrazole Derivatives as Gsk-3 Inhibitors | BENBOW JOHN W | 2007-11-29 | — | — | US | disclosed |
| US-5637731-A | CHOLINERGIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |
| US-5550257-A | TREATING CENTRAL CHOLINERGIC DYSFUNCTION | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |