⚠ 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 SCHEMBL3108850 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL3123186 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL7760884 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL3114752 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3109025 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3122797 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6438730 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7935495 | 0.81 | CA12 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3116795 | 0.81 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6435261 | 0.80 | — | — |
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-1092730-A1 | PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER | Mitsui Chemicals, Inc. (JP) | 2001-04-18 | — | — | EP | disclosed |