⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL6807716 | 0.63 | — | — | |
| SCHEMBL423679 | 0.60 | — | — | |
| Water SCHEMBL3597496 | 0.59 | MEN1 (0.39) | — | |
| SCHEMBL29280996 | 0.58 | — | — | |
| SCHEMBL16733218 | 0.58 | — | — | |
| SCHEMBL9298738 | 0.58 | — | — | |
| SCHEMBL4754123 | 0.57 | CA1 (0.33) | — | |
| SCHEMBL2888595 | 0.57 | — | — | |
| Tetrylammonium SCHEMBL5916499 | 0.57 | TSHR (0.44) | — | |
| SCHEMBL22218757 | 0.56 | — | — |
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-2003018559-A2 | INTERMEDIATES AND PREPARATION THEREOF FOR THE ENANTIOSELECTIVE SYNTHESIS OF (20R) HOMOCAMPTOTHECINS | UNIVERSITY OF PITTSBURGH (US) | 2003-03-06 | — | — | WO | claimed |