⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22534005 | 0.78 | — | — | |
| SCHEMBL5173 | 0.78 | — | — | |
| SCHEMBL104851 | 0.77 | — | — | |
| SCHEMBL6970145 | 0.77 | SLC6A2 (0.39) | — | |
| Water SCHEMBL27734246 | 0.74 | SLC6A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL21492940 | 0.74 | SLC6A2 (0.41) | — | |
| SCHEMBL15140880 | 0.74 | SLC6A2 (0.38) | — | |
| SCHEMBL5482 | 0.73 | — | — | |
| SCHEMBL5242 | 0.73 | — | — | |
| SCHEMBL24170151 | 0.72 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699032-A | Polycyclic T L R7/8 antagonists and their use in treating immune disorders | 默克专利有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-101835757-A | Diacylglycerol acyltransferase inhibitors | HOFFMANN LA ROCHE | 2010-09-15 | — | — | CN | disclosed |
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| US-5952316-A | FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-09-14 | — | — | US | disclosed |
| EP-0627406-B1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5719176-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5604229-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0627406-A1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-12-07 | — | — | EP | disclosed |
| EP-0215435-B1 | 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-4831026-A | ANTIBIOTICS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-05-16 | — | — | US | disclosed |
| EP-0215435-A1 | 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-03-25 | — | — | EP | disclosed |