⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251491 | 1.00 | — | — | |
| SCHEMBL11177046 | 0.97 | — | — | |
| Water SCHEMBL27762459 | 0.97 | — | — | |
| SCHEMBL28140991 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL19253563 | 0.97 | — | — | |
| Bromide SCHEMBL6931975 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4108554 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL2233823 | 0.94 | MEN1 (0.39) | — | |
| SCHEMBL516030 | 0.93 | — | — | |
| Bromide SCHEMBL9820055 | 0.90 | MEN1 (0.41) | — |
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-4118439-A | IONICALLY CROSSLINKED QUATERNARY AMMONIUM POLYMER | RHONE-POULENC S.A. (FR) | 1978-10-03 | — | — | US | disclosed |