⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29365 | 0.91 | — | — | |
| SCHEMBL997893 | 0.91 | — | — | |
| SCHEMBL8872405 | 0.91 | TSHR (0.50) | — | |
| Water SCHEMBL8728170 | 0.87 | TSHR (0.47) | — | |
| Hydrochloric Acid SCHEMBL9438196 | 0.87 | — | — | |
| SCHEMBL11328213 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL2138319 | 0.87 | — | — | |
| Methylene Chloride SCHEMBL11857003 | 0.87 | — | — | |
| Methane SCHEMBL21406515 | 0.87 | — | — | |
| SCHEMBL11427648 | 0.87 | — | — |
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-6147183-A | Amphoteric amine based polymers having a net cationic charge and process for their production | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-14 | — | — | US | claimed |