⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10542200 | 0.92 | — | — | |
| SCHEMBL10596935 | 0.89 | KMT2A (0.39) | — | |
| SCHEMBL5883430 | 0.89 | KMT2A (0.39) | — | |
| SCHEMBL10543714 | 0.89 | KMT2A (0.39) | — | |
| SCHEMBL9633770 | 0.86 | KMT2A (0.67) | — | |
| SCHEMBL230243 | 0.81 | — | — | |
| SCHEMBL11131196 | 0.81 | KMT2A (0.50) | — | |
| SCHEMBL8078444 | 0.81 | KMT2A (0.50) | — | |
| SCHEMBL7679632 | 0.79 | — | — | |
| SCHEMBL9089465 | 0.77 | KMT2A (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008045543-A1 | SUBSTITUTED 4H-IMIDAZO [4, 5, 1-IJ] [1, 6] NAPHTHYRIDINE-9-AMINES AND THEIR PHARMACEUTICAL USE | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2008-04-17 | — | — | WO | disclosed |
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |
| US-4572795-A | UNSATURATED ACYCLIC ALCOHOLS | GIVAUDAN CORPORATION (US) | 1986-02-25 | — | — | US | disclosed |
| EP-0086945-B1 | ALKENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE AS FRAGRANCES AND FLAVOURING COMPOSITIONS CONTAINING THESE ALKENOLS | L. GIVAUDAN & CIE Société Anonyme (CH) | 1984-12-05 | — | — | EP | disclosed |
| EP-0086945-A1 | Alkenols, process for their preparation, their use as fragrances and flavouring compositions containing these alkenols | L. GIVAUDAN & CIE Société Anonyme (CH) | 1983-08-31 | — | — | EP | disclosed |