⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20472326 | 0.70 | — | — | |
| SCHEMBL28100453 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL27501829 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL4942484 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL19328689 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL11654784 | 0.61 | — | — | |
| SCHEMBL21239607 | 0.57 | — | — | |
| SCHEMBL28281117 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL7112593 | 0.56 | TSHR (0.33) | — | |
| SCHEMBL17027355 | 0.55 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6673550-B2 | PROBES FOR USE IN THE DETECTION AND MEASUREMENT OF PREFERENTIAL COMPOUND IN SAMPLE | ACLARA BIOSCIENCES, INC. | 2004-01-06 | — | — | US | disclosed |
| US-20020146726-A1 | Electrophoretic tag reagents comprising fluorescent compounds | ACLARA BIOSCIENCES, INC. | 2002-10-10 | — | — | US | disclosed |
| US-20020142329-A1 | Compositions and methods employing cleavable electrophoretic tag reagents | ACLARA BIOSCIENCES, INC. | 2002-10-03 | — | — | US | disclosed |