⚠ 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 SCHEMBL3045264 | 0.87 | — | — | |
| SCHEMBL27500154 | 0.82 | — | — | |
| SCHEMBL43333 | 0.82 | — | — | |
| SCHEMBL27414869 | 0.82 | — | — | |
| SCHEMBL724823 | 0.82 | — | — | |
| SCHEMBL11846984 | 0.82 | — | — | |
| SCHEMBL9629364 | 0.82 | — | — | |
| SCHEMBL8112389 | 0.82 | — | — | |
| SCHEMBL7994735 | 0.82 | — | — | |
| SCHEMBL27464141 | 0.82 | — | — |
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-6121443-A | PREPARED BY FORMING A SUSPENSION OF TRIALKYLALUMINUM AND LITHIUM ALUMINUM HYDRIDE IN HEXANE OR PENTANE AND ADDING TO THE SUSPENSION A LEWIS BASE | ROHM AND HAAS COMPANY (US) | 2000-09-19 | — | — | US | disclosed |