⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12767708 | 0.93 | HSD17B10 (0.31) | — | |
| SCHEMBL386368 | 0.89 | LMNA (0.30) | — | |
| SCHEMBL12532687 | 0.84 | — | — | |
| SCHEMBL19105015 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL19105000 | 0.81 | — | — | |
| SCHEMBL24201802 | 0.80 | — | — | |
| SCHEMBL13671281 | 0.80 | — | — | |
| SCHEMBL3634742 | 0.80 | ADRB2 (0.33) | — | |
| SCHEMBL15314806 | 0.79 | — | — | |
| SCHEMBL19449072 | 0.79 | — | — |
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-7855293-B2 | Fluorescent dyes such as 2-(4-acetanilino-1,3-butadieneyl)-3-spiro-1'-cyclohexan-1-(4-sulfobutyl)-3H -indolium hydroxide metal salts which couple biological materials without loss of fluorescence due to self-quenching | HAALCK LUTZ | 2010-12-21 | — | — | US | disclosed |