⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9420708 | 0.72 | — | — | |
| SCHEMBL13325688 | 0.71 | SLC9A1 (0.37) | — | |
| SCHEMBL435017 | 0.71 | — | — | |
| SCHEMBL23060441 | 0.67 | — | — | |
| SCHEMBL34154 | 0.67 | — | — | |
| SCHEMBL17723099 | 0.67 | — | — | |
| SCHEMBL2467004 | 0.67 | — | — | |
| SCHEMBL5284005 | 0.67 | — | — | |
| SCHEMBL5277789 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11477370 | 0.65 | GAA (0.56) | — |
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-4662905-A | REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE | Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) | 1987-05-05 | — | — | US | claimed |
| WO-2023078813-A1 | HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS | MERCK PATENT GMBH (DE) | 2023-05-11 | — | — | WO | disclosed |
| WO-2023072974-A1 | TRICYCLIC HETEROCYCLES | MERCK PATENT GMBH (DE) | 2023-05-04 | — | — | WO | disclosed |
| WO-2021224291-A1 | TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS | MERCK PATENT GMBH (DE) | 2021-11-11 | — | — | WO | disclosed |
| US-10865216-B2 | Tricyclic Gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-12-15 | — | — | US | disclosed |
| US-20100261719-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | US | disclosed |
| EP-2193132-A2 | 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | AstraZeneca AB (SE) | 2010-06-09 | — | — | EP | disclosed |
| WO-2009004382-A2 | 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |
| US-4662905-A | REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE | Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) | 1987-05-05 | — | — | US | disclosed |