⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20876138 | 0.74 | — | — | |
| SCHEMBL284721 | 0.70 | — | — | |
| SCHEMBL34332 | 0.67 | — | — | |
| SCHEMBL29210333 | 0.67 | — | — | |
| SCHEMBL4895410 | 0.67 | LMNA (0.36) | — | |
| SCHEMBL27959803 | 0.65 | — | — | |
| SCHEMBL5158836 | 0.65 | LMNA (0.38) | — | |
| SCHEMBL27844573 | 0.65 | TP53 (0.30) | — | |
| SCHEMBL4382677 | 0.65 | — | — | |
| SCHEMBL1959272 | 0.65 | — | — |
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-5003052-A | Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather | CIBA-GEIGY CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |