⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7802302 | 0.78 | TDP1 (0.30) | — | |
| SCHEMBL4767457 | 0.75 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL4722357 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL700215 | 0.73 | TDP1 (0.44) | — | |
| SCHEMBL4719824 | 0.73 | CACNA2D1 (0.35) | — | |
| SCHEMBL4722442 | 0.72 | IDO1 (0.40) | — | |
| SCHEMBL27485301 | 0.71 | TDP1 (0.43) | — | |
| SCHEMBL7565856 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL3123228 | 0.70 | ADRA2A (0.34) | — | |
| SCHEMBL4723504 | 0.70 | TAS1R3 (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 |
|---|---|---|---|---|---|---|---|
| US-20010012899-A1 | Oligomeric methine dyes | CLARIANT FINANCE ( BVI) LIMITED | 2001-08-09 | — | — | US | disclosed |