⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16468814 | 0.85 | — | — | |
| SCHEMBL38322 | 0.85 | — | — | |
| Methane SCHEMBL28266916 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28967109 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL20995323 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL9309545 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL11409776 | 0.78 | TSHR (0.35) | — | |
| Hypochlorous Acid SCHEMBL11418116 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL6172552 | 0.73 | — | — | |
| SCHEMBL9407291 | 0.73 | RNPEP (0.40) | — |
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-4183907-A | FROM CALCIUM HYDROXIDE AND AN ORGANIC HYPOCHLORITE | OLIN CORPORATION (US) | 1980-01-15 | — | — | US | disclosed |