⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4011681 | 0.80 | HPGD (0.30) | — | |
| SCHEMBL2434403 | 0.78 | BTK (0.31) | — | |
| SCHEMBL6320796 | 0.75 | BTK (0.31) | — | |
| SCHEMBL6235834 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL5568760 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL23997628 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL6232294 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL6232695 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL6233418 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL6239163 | 0.73 | MEN1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991000724-A1 | ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION | ABBOTT LABORATORIES (US) | 1991-01-24 | — | — | WO | disclosed |