⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2661168 | 0.78 | — | — | |
| SCHEMBL11657402 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL3513131 | 0.65 | — | — | |
| SCHEMBL7707621 | 0.62 | POLB (0.32) | — | |
| SCHEMBL9515049 | 0.60 | — | — | |
| SCHEMBL10964461 | 0.59 | — | — | |
| SCHEMBL5597627 | 0.59 | NOS1 (0.32) | — | |
| SCHEMBL15009026 | 0.57 | — | — | |
| SCHEMBL381122 | 0.57 | — | — | |
| SCHEMBL21358858 | 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 |
|---|---|---|---|---|---|---|---|
| US-4473650-A | Use of strong organic acid polyelectrolyte salts in test means, test device and method for determining the ionic strength or specific gravity of a liquid sample | MILES LABORATORIES, INC. (US) | 1984-09-25 | — | — | US | disclosed |