⚠ 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 SCHEMBL5948732 | 0.87 | — | — | |
| SCHEMBL6461036 | 0.85 | — | — | |
| SCHEMBL6463746 | 0.85 | — | — | |
| SCHEMBL6463780 | 0.82 | — | — | |
| SCHEMBL6463389 | 0.82 | — | — | |
| SCHEMBL6455504 | 0.82 | — | — | |
| SCHEMBL6461729 | 0.82 | CYP2A6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6065666 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2513014 | 0.79 | — | — | |
| SCHEMBL6457392 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6949614-B1 | Catalyst system | BASELL POLYOLEFINE GMBH (DE) | 2005-09-27 | — | — | US | disclosed |