⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8883216 | 0.81 | — | — | |
| SCHEMBL8637375 | 0.68 | — | — | |
| SCHEMBL8191873 | 0.64 | — | — | |
| SCHEMBL7906823 | 0.62 | — | — | |
| SCHEMBL8068584 | 0.62 | TSHR (0.30) | — | |
| SCHEMBL28755749 | 0.60 | — | — | |
| SCHEMBL8637309 | 0.59 | — | — | |
| SCHEMBL8569728 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL3165908 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL28119136 | 0.57 | — | — |
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-20040096397-A1 | Sulfonated diarylrhodamine dyes | APPLERA CORPORATION (US) | 2004-05-20 | — | — | US | disclosed |