⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18339634 | 0.51 | — | — | |
| SCHEMBL19724702 | 0.40 | — | — | |
| SCHEMBL23378208 | 0.37 | — | — | |
| Hydrochloric Acid SCHEMBL5707595 | 0.30 | — | — | |
| Hydrochloric Acid SCHEMBL72335 | 0.30 | — | — | |
| Hydrochloric Acid SCHEMBL6244319 | 0.30 | — | — | |
| Hydrochloric Acid SCHEMBL31565009 | 0.30 | — | — | |
| Hydrochloric Acid SCHEMBL6843520 | 0.30 | — | — | |
| Hydrochloric Acid SCHEMBL1449238 | 0.30 | — | — | |
| SCHEMBL194444 | 0.29 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016181312-A1 | POLYCYCLIC EPOXIDES AND COMPOSITIONS THEREOF WITH ANTI-CANCER ACTIVITIES | VERSITECH LIMITED (CN) | 2016-11-17 | — | — | WO | disclosed |