⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7029634 | 0.70 | — | — | |
| SCHEMBL8420823 | 0.69 | — | — | |
| SCHEMBL17287534 | 0.65 | — | — | |
| SCHEMBL17287726 | 0.64 | — | — | |
| SCHEMBL17287837 | 0.64 | — | — | |
| SCHEMBL17287540 | 0.62 | — | — | |
| SCHEMBL17287590 | 0.62 | CNR1 (0.30) | — | |
| SCHEMBL17287477 | 0.60 | — | — | |
| SCHEMBL17287473 | 0.60 | — | — | |
| SCHEMBL17287707 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944638-B1 | CIS-BRIDGED METAL COMPLEXES | BASF AG (DE) | 2003-06-11 | — | — | EP | disclosed |
| EP-0944666-B1 | CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS | BASF AG (DE) | 2003-03-05 | — | — | EP | disclosed |
| US-6103867-A | METAL COMPLEX MIXED WITH LEWIS AND/OR PROTIC ACIDS; SIMPLIFICATION, EFFICIENCY, HALOGEN-FREE STARTING MATERIALS | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |