⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5176749 | 0.99 | — | — | |
| SCHEMBL5174981 | 0.85 | MCL1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5175064 | 0.84 | MCL1 (0.30) | — | |
| SCHEMBL5076686 | 0.79 | — | — | |
| SCHEMBL5076690 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6936805 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5080033 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6938412 | 0.74 | — | — | |
| SCHEMBL5080064 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5074188 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1325926-B1 | Metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2007-02-07 | — | — | EP | claimed |