⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7558753 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL5388818 | 0.71 | — | — | |
| SCHEMBL19164023 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL10197405 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL10197407 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL14944966 | 0.69 | — | — | |
| SCHEMBL6200858 | 0.69 | — | — | |
| SCHEMBL22152078 | 0.69 | — | — | |
| SCHEMBL10564620 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL150455 | 0.66 | — | — |
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-6350872-B1 | QUATERNARIUM POLYAMINES WITH ANIONS | THE VIRKLER COMPANY | 2002-02-26 | — | — | US | claimed |