⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL807677 | 0.77 | — | — | |
| SCHEMBL791401 | 0.70 | — | — | |
| SCHEMBL23191350 | 0.70 | DDB1 (0.56) | — | |
| SCHEMBL26620894 | 0.65 | CRBN (0.30) | — | |
| SCHEMBL24306087 | 0.64 | — | — | |
| SCHEMBL11685217 | 0.61 | — | — | |
| SCHEMBL22192782 | 0.61 | MAP3K14 (0.41) | — | |
| SCHEMBL19117172 | 0.61 | — | — | |
| SCHEMBL19346318 | 0.60 | — | — | |
| SCHEMBL7118259 | 0.57 | MAP3K14 (0.48) | — |
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-2008125788-A1 | CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF | CIS BIO INTERNATIONAL (FR) | 2008-10-23 | — | — | WO | disclosed |