⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440185 | 1.00 | — | — | |
| SCHEMBL7907744 | 0.91 | — | — | |
| SCHEMBL312887 | 0.78 | — | — | |
| Bicarbonate SCHEMBL23700071 | 0.74 | CA1 (0.56) | — | |
| SCHEMBL11802329 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5685003 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5685010 | 0.67 | — | — | |
| SCHEMBL43387 | 0.67 | — | — | |
| SCHEMBL2009513 | 0.63 | — | — | |
| SCHEMBL1036957 | 0.63 | — | — |
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-20050066453-A1 | Photochromic dye | NEW PRISMATIC ENTERPRISE CO., LTD. (TW) | 2005-03-31 | — | — | US | disclosed |