⚠ 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 SCHEMBL7188633 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8593360 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8591897 | 0.66 | — | — | |
| SCHEMBL7194736 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8532521 | 0.65 | — | — | |
| SCHEMBL16223801 | 0.65 | — | — | |
| SCHEMBL4576924 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL646904 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7188623 | 0.63 | — | — | |
| SCHEMBL7549569 | 0.63 | — | — |
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-0717754-A1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995004087-A1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1995-02-09 | — | — | WO | disclosed |