⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27468618 | 0.69 | — | — | |
| Chloroacetic Acid SCHEMBL9404182 | 0.67 | — | — | |
| SCHEMBL6400253 | 0.66 | — | — | |
| SCHEMBL28128414 | 0.63 | GRIN2D (0.34) | — | |
| SCHEMBL19285220 | 0.63 | CPN1 (0.41) | — | |
| SCHEMBL27405590 | 0.62 | — | — | |
| SCHEMBL3374413 | 0.60 | CPN1 (0.39) | — | |
| SCHEMBL3259079 | 0.60 | GRIK1 (0.36) | — | |
| SCHEMBL6182368 | 0.59 | — | — | |
| SCHEMBL7606538 | 0.59 | CYP2C19 (0.43) | — |
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-6949630-B2 | Cationic reactive dyes | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |