⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7547929 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL29281381 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL3670081 | 0.78 | OXTR (0.32) | — | |
| Fluoride SCHEMBL1130605 | 0.78 | OXTR (0.32) | — | |
| SCHEMBL7545653 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL18663193 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7543656 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28732823 | 0.74 | ALDH1A1 (0.33) | — | |
| Dimethylamine SCHEMBL7206315 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5601019 | 0.72 | OXTR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0798306-B1 | Substituted indenyl unbridged metallocenes | PHILLIPS PETROLEUM CO (US) | 2002-05-22 | — | — | EP | claimed |