⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25317454 | 0.73 | SLC18A3 (0.33) | — | |
| SCHEMBL16393757 | 0.73 | — | — | |
| SCHEMBL22584 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7107236 | 0.71 | — | — | |
| SCHEMBL12521011 | 0.71 | — | — | |
| SCHEMBL813889 | 0.70 | — | — | |
| SCHEMBL28767945 | 0.69 | TLR4 (0.33) | — | |
| SCHEMBL14480341 | 0.69 | — | — | |
| SCHEMBL27608686 | 0.69 | — | — | |
| SCHEMBL8429348 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990254-A | Metallocenes as catalysts in the preparation of cycloolefin copolymers | TARGOR GMBH (DE) | 1999-11-23 | — | — | US | disclosed |
| US-5710297-A | Metallocenes, and their use as catalysts | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5565534-A | POLYMERIZING OLEFIN IN PRESENCE OF STEREORIGID METALLOCENE | HOECHST AG (DE) | 1996-10-15 | — | — | US | disclosed |