⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13684692 | 1.00 | — | — | |
| SCHEMBL6656197 | 0.93 | MEN1 (0.41) | — | |
| SCHEMBL867256 | 0.84 | — | — | |
| SCHEMBL10020945 | 0.81 | — | — | |
| SCHEMBL12757007 | 0.76 | — | — | |
| SCHEMBL15744233 | 0.74 | — | — | |
| SCHEMBL10901677 | 0.71 | — | — | |
| SCHEMBL14626426 | 0.70 | HDAC8 (0.37) | — | |
| SCHEMBL6855172 | 0.70 | HDAC8 (0.37) | — | |
| SCHEMBL13994587 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | YOSHIHIRO ISHIKAWA (JP) | 2012-02-02 | — | — | US | disclosed |
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |
| US-4785010-A | AGING RESISTANCE OF HUMANS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1988-11-15 | — | — | US | disclosed |
| EP-0124067-B1 | 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1986-12-17 | — | — | EP | disclosed |
| EP-0129791-A2 | Tetrahydropyridazinone derivatives, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1985-01-02 | — | — | EP | disclosed |
| EP-0124067-A1 | 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use | CASSELLA Aktiengesellschaft (DE) | 1984-11-07 | — | — | EP | disclosed |