⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17621278 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL17544386 | 0.79 | PIK3CD (0.30) | — | |
| SCHEMBL17761168 | 0.77 | PDE2A (0.30) | — | |
| SCHEMBL17616523 | 0.77 | — | — | |
| SCHEMBL16006819 | 0.73 | CRHR1 (0.38) | — | |
| SCHEMBL20430360 | 0.71 | CYP3A4 (0.40) | — | |
| SCHEMBL20430136 | 0.71 | CCR4 (0.35) | — | |
| SCHEMBL23653934 | 0.70 | CNR2 (0.33) | — | |
| SCHEMBL23654214 | 0.70 | — | — | |
| SCHEMBL13106193 | 0.62 | MAPK8 (0.36) | — |
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-2016033243-A9 | ANTIRETROVIRAL AGENTS | GILEAD SCIENCES, INC. (US) | 2016-05-19 | — | — | WO | disclosed |