⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4945634 | 0.82 | — | — | |
| SCHEMBL8413461 | 0.79 | — | — | |
| SCHEMBL6570542 | 0.74 | — | — | |
| SCHEMBL4652372 | 0.74 | — | — | |
| SCHEMBL27347350 | 0.63 | — | — | |
| SCHEMBL9323386 | 0.63 | — | — | |
| Water SCHEMBL29018953 | 0.61 | — | — | |
| SCHEMBL197249 | 0.61 | — | — | |
| SCHEMBL27884552 | 0.60 | — | — | |
| SCHEMBL3187920 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8301883-A | — | — | None | — | — | JP | disclosed |
| US-5880302-A | Organometallic compound | TARGOR GMBH (DE) | 1999-03-09 | — | — | US | disclosed |
| JP-H08301883-A | ORGANOMETALLIC COMPOUND | HOECHST AG | 1996-11-19 | — | — | JP | disclosed |
| EP-0742225-A1 | Organometallic compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-13 | — | — | EP | disclosed |