⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37140 | 0.97 | — | — | |
| Water SCHEMBL11963057 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL6315266 | 0.93 | — | — | |
| Zinc Ion SCHEMBL11571036 | 0.93 | — | — | |
| Bromide SCHEMBL11327569 | 0.93 | CA4 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL23611461 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8384341 | 0.93 | — | — | |
| SCHEMBL7541997 | 0.93 | — | — | |
| Nitrogen SCHEMBL18203485 | 0.93 | CA4 (0.35) | — | |
| Iodide SCHEMBL18428509 | 0.93 | — | — |
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-4157892-A | COLORING AGENT IS CHEMICALLY COUPLED TO POLYMER | TOYO CONTACT LENS COMPANY, LIMITED (JP) | 1979-06-12 | — | — | US | disclosed |