⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7565106 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL7566859 | 0.86 | CYP1A2 (0.32) | — | |
| SCHEMBL7566841 | 0.86 | KDR (0.31) | — | |
| SCHEMBL7564433 | 0.85 | ADRA1A (0.32) | — | |
| SCHEMBL7568780 | 0.82 | CYP1A2 (0.36) | — | |
| SCHEMBL7565115 | 0.78 | MAOA (0.33) | — | |
| SCHEMBL7571571 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL5951112 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL7564974 | 0.76 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL7568976 | 0.74 | MAOA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | claimed |
| EP-0743317-B1 | Metallocenes comprising a heterocycle and catalysts containing them | BASELL POLYOLEFINE GMBH (DE) | 2002-08-28 | — | — | EP | disclosed |
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0743317-A2 | Metallocenes comprising a heterocycle and catalysts containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-20 | — | — | EP | disclosed |