⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28028290 | 0.81 | — | — | |
| SCHEMBL322313 | 0.78 | KMT2A (0.44) | — | |
| SCHEMBL10439675 | 0.78 | — | — | |
| SCHEMBL28635102 | 0.78 | — | — | |
| SCHEMBL3910329 | 0.78 | — | — | |
| SCHEMBL195285 | 0.78 | — | — | |
| SCHEMBL16150959 | 0.76 | TSHR (0.55) | — | |
| SCHEMBL1698587 | 0.75 | — | — | |
| SCHEMBL7463124 | 0.74 | — | — | |
| SCHEMBL28210051 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861376-A1 | CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS | F. Hoffmann-Roche AG (CH) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006097261-A1 | CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-21 | — | — | WO | disclosed |