⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15148083 | 0.75 | — | — | |
| SCHEMBL16394321 | 0.52 | PTK2 (0.44) | — | |
| SCHEMBL5848415 | 0.50 | — | — | |
| SCHEMBL1569445 | 0.45 | — | — | |
| SCHEMBL10769701 | 0.45 | — | — | |
| SCHEMBL11371754 | 0.45 | — | — | |
| SCHEMBL3651289 | 0.45 | — | — | |
| SCHEMBL2244271 | 0.43 | PTK2 (0.54) | — | |
| SCHEMBL22366550 | 0.43 | IMPDH2 (0.42) | — | |
| SCHEMBL15572589 | 0.42 | GAA (0.35) | — |
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-5204347-A | Reduction in intraocular pressure; increase renal flow; alteration in the rate of fluid transport in the gastrointestinal tract | ALLERGAN, INC. (US) | 1993-04-20 | — | — | US | disclosed |