⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8172834 | 0.74 | — | — | |
| SCHEMBL13803216 | 0.74 | — | — | |
| SCHEMBL21657348 | 0.72 | — | — | |
| SCHEMBL14389730 | 0.70 | — | — | |
| SCHEMBL23735639 | 0.69 | — | — | |
| SCHEMBL16328075 | 0.67 | — | — | |
| SCHEMBL17662633 | 0.67 | — | — | |
| SCHEMBL21803718 | 0.67 | — | — | |
| SCHEMBL20613468 | 0.67 | TP53 (0.32) | — | |
| SCHEMBL21803719 | 0.67 | — | — |
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-9611252-B2 | Therapeutic inhibitory compounds | LIFESCI PHARMACEUTICALS, INC. (BB) | 2017-04-04 | — | — | US | disclosed |