⚠ 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 SCHEMBL5948595 | 0.86 | — | — | |
| SCHEMBL6455986 | 0.84 | — | — | |
| SCHEMBL6456558 | 0.82 | — | — | |
| SCHEMBL6455045 | 0.81 | — | — | |
| SCHEMBL6462698 | 0.81 | — | — | |
| SCHEMBL6463780 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2512910 | 0.79 | — | — | |
| SCHEMBL6456160 | 0.79 | — | — | |
| SCHEMBL6460987 | 0.78 | — | — | |
| SCHEMBL8673527 | 0.77 | CYP2A6 (0.42) | — |
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 |