⚠ 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 SCHEMBL3681018 | 0.99 | — | — | |
| SCHEMBL5597349 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL7542809 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3672122 | 0.73 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7549578 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL648714 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL8024840 | 0.68 | ESR1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3681014 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6286844 | 0.67 | ESR1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL3670081 | 0.66 | OXTR (0.32) | — |
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 |