⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5080102 | 1.00 | — | — | |
| SCHEMBL5076676 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL16239775 | 0.88 | — | — | |
| SCHEMBL7920709 | 0.79 | — | — | |
| SCHEMBL7918312 | 0.79 | — | — | |
| SCHEMBL7918315 | 0.79 | — | — | |
| SCHEMBL7920713 | 0.79 | — | — | |
| SCHEMBL5176845 | 0.79 | — | — | |
| SCHEMBL7920707 | 0.77 | — | — | |
| SCHEMBL7920714 | 0.77 | — | — |
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-0839823-B2 | Metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2008-01-09 | — | — | EP | claimed |
| EP-0839823-B1 | Metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2003-12-10 | — | — | EP | claimed |