⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14620037 | 0.87 | — | — | |
| SCHEMBL14620040 | 0.71 | — | — | |
| SCHEMBL23600820 | 0.63 | MEN1 (0.48) | — | |
| SCHEMBL23601227 | 0.63 | MEN1 (0.51) | — | |
| SCHEMBL14342029 | 0.62 | NPC1 (0.64) | — | |
| SCHEMBL14177714 | 0.60 | GRIN2D (0.45) | — | |
| SCHEMBL23195205 | 0.59 | GRIN2D (0.40) | — | |
| SCHEMBL23206304 | 0.59 | GRIN2D (0.40) | — | |
| SCHEMBL23194820 | 0.59 | GRIN2D (0.40) | — | |
| SCHEMBL23600756 | 0.59 | GRIN2D (0.37) | — |
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-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |