⚠ 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 SCHEMBL3271161 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3269329 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1237028 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL1236164 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3270226 | 0.85 | TDP2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3274641 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1236866 | 0.85 | — | — | |
| SCHEMBL3270244 | 0.81 | — | — | |
| SCHEMBL3269471 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1235765 | 0.79 | — | — |
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-1803742-B1 | PROCESS FOR PRODUCING PROPYLENE POLYMER | MITSUI CHEMICALS INC (JP) | 2010-06-23 | — | — | EP | disclosed |