⚠ 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 SCHEMBL7546502 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL23160882 | 0.81 | — | — | |
| SCHEMBL1387826 | 0.77 | GAA (0.36) | — | |
| Hydrochloric Acid SCHEMBL23160883 | 0.72 | — | — | |
| SCHEMBL6552435 | 0.68 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL23160906 | 0.66 | — | — | |
| SCHEMBL6067494 | 0.65 | — | — | |
| SCHEMBL6552319 | 0.65 | KIF11 (0.45) | — | |
| SCHEMBL6551692 | 0.65 | TSHR (0.41) | — | |
| SCHEMBL29390519 | 0.62 | MAPT (0.36) | — |
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 2 patents. 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 |
| EP-0798306-A1 | Substituted indenyl unbridged metallocenes | PHILLIPS PETROLEUM COMPANY (US) | 1997-10-01 | — | — | EP | claimed |