⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3490275 | 1.00 | — | — | |
| SCHEMBL3489480 | 0.70 | — | — | |
| SCHEMBL8142133 | 0.70 | — | — | |
| SCHEMBL3489472 | 0.70 | — | — | |
| SCHEMBL16502425 | 0.70 | — | — | |
| SCHEMBL7574643 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL19657985 | 0.64 | — | — | |
| SCHEMBL7581151 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL5390855 | 0.61 | MAP3K14 (0.36) | — | |
| SCHEMBL17519884 | 0.61 | ALDH1A1 (0.34) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9867821-B2 | Hexahydro-1H-4,7-methanoisoindole-1,3-dione compounds | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2018-01-16 | — | — | US | disclosed |
| US-20130178481-A1 | HEXAHYDRO-1H-4,7-METHANOISOINDOLE-1,3-DIONE COMPOUNDS | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2013-07-11 | — | — | US | disclosed |
| US-8410111-B2 | Hexahydro-1H-4,7-methanoisoindole-1,3-dione compounds | MERCK SHARP & DOHME CORP. (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120316181-A1 | HEXAHYDRO-1H-4,7-METHANOISOINDOLE-1,3-DIONE COMPOUNDS | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2012-12-13 | — | — | US | disclosed |
| EP-2144905-B1 | THERAPEUTIC AGENTS | MERCK SHARP & DOHME (US) | 2012-11-28 | — | — | EP | disclosed |
| US-8252799-B2 | Hexahydro-1H-4,7-methanoisoindole-1,3-dione compounds | MERCK SHARP & DOHME CORP. (US) | 2012-08-28 | — | — | US | disclosed |
| US-20100105697-A1 | THERAPEUTIC AGENTS | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2010-04-29 | — | — | US | disclosed |
| EP-2144905-A1 | THERAPEUTIC AGENTS | Merck & Co., Inc. (US) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008124030-A1 | THERAPEUTIC AGENTS | MERCK & CO., INC. (US) | 2008-10-16 | — | — | WO | disclosed |