⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21662353 | 0.55 | — | — | |
| SCHEMBL15460010 | 0.49 | — | — | |
| SCHEMBL12703772 | 0.45 | — | — | |
| SCHEMBL12710903 | 0.45 | — | — | |
| SCHEMBL250889 | 0.42 | — | — | |
| SCHEMBL22879251 | 0.42 | — | — | |
| SCHEMBL10037100 | 0.41 | — | — | |
| SCHEMBL11802014 | 0.41 | — | — | |
| SCHEMBL18205013 | 0.40 | — | — | |
| SCHEMBL11218163 | 0.40 | ACHE (0.30) | — |
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-2019040102-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2019-02-28 | — | — | WO | disclosed |