⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12378436 | 0.92 | PTGER4 (0.34) | — | |
| SCHEMBL13624083 | 0.92 | CSNK1D (0.30) | — | |
| SCHEMBL12378449 | 0.91 | MCHR1 (0.30) | — | |
| SCHEMBL12378444 | 0.90 | GRM2 (0.31) | — | |
| SCHEMBL12378337 | 0.90 | LIPG (0.31) | — | |
| SCHEMBL12378464 | 0.90 | TBXAS1 (0.33) | — | |
| SCHEMBL13624049 | 0.90 | GAA (0.33) | — | |
| SCHEMBL13624061 | 0.88 | — | — | |
| SCHEMBL13624113 | 0.88 | — | — | |
| SCHEMBL12378466 | 0.88 | GRIN2B (0.31) | — |
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-20090291921-A1 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-11-26 | — | — | US | disclosed |