⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2801803 | 0.78 | — | — | |
| SCHEMBL3732262 | 0.64 | — | — | |
| SCHEMBL3277820 | 0.55 | — | — | |
| SCHEMBL27852323 | 0.54 | — | — | |
| SCHEMBL27856132 | 0.54 | — | — | |
| SCHEMBL18648250 | 0.53 | HMGCR (0.32) | — | |
| SCHEMBL779443 | 0.53 | NPC1 (0.58) | — | |
| SCHEMBL780091 | 0.53 | NPC1 (0.43) | — | |
| SCHEMBL24653295 | 0.50 | NPC1 (0.48) | — | |
| SCHEMBL20820742 | 0.50 | NPC1 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017702-A1 | METHOD FOR SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES | Basell Polyolefine GmbH (DE) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999015538-A1 | METHOD FOR SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES | TARGOR GMBH (DE) | 1999-04-01 | — | — | WO | disclosed |