⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27411129 | 0.72 | POLB (0.34) | — | |
| SCHEMBL10032043 | 0.71 | — | — | |
| SCHEMBL149015 | 0.67 | — | — | |
| SCHEMBL15235858 | 0.65 | — | — | |
| Bromide SCHEMBL2351765 | 0.65 | — | — | |
| SCHEMBL12744704 | 0.65 | — | — | |
| Fluoride SCHEMBL4617189 | 0.65 | — | — | |
| SCHEMBL3346317 | 0.65 | — | — | |
| Water SCHEMBL2820886 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL5153040 | 0.65 | — | — |
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-20190292243-A1 | PEPTIDES AND METHODS OF USE THEREOF | HUTCHINSON FRED CANCER RES (US) | 2019-09-26 | — | — | US | disclosed |