⚠ 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 SCHEMBL5513826 | 0.98 | — | — | |
| SCHEMBL6399858 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5506844 | 0.89 | — | — | |
| SCHEMBL8466523 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8675290 | 0.79 | — | — | |
| SCHEMBL6405979 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5511301 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6340066 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5511302 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5513823 | 0.75 | — | — |
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-20050065019-A1 | Catalytic systems for the polimerisation and copolimerisation of alpha-olefins | REPSOL QUIMICA S.A. | 2005-03-24 | — | — | US | disclosed |