⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1180985 | 0.66 | IDO1 (0.32) | — | |
| SCHEMBL1181258 | 0.66 | IDO1 (0.32) | — | |
| SCHEMBL1180986 | 0.66 | IDO1 (0.32) | — | |
| SCHEMBL22946563 | 0.61 | ALOX15 (0.32) | — | |
| SCHEMBL14249072 | 0.60 | ACHE (0.36) | — | |
| SCHEMBL25163385 | 0.59 | PIK3C3 (0.31) | — | |
| SCHEMBL19659012 | 0.58 | PIK3CD (0.33) | — | |
| SCHEMBL14249217 | 0.58 | — | — | |
| SCHEMBL16498267 | 0.57 | GRIN2D (0.38) | — | |
| SCHEMBL18542038 | 0.57 | CHRNA3 (0.33) | — |
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-2008024978-A2 | TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES | SERENEX, INC. (US) | 2008-02-28 | — | — | WO | disclosed |