⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28708985 | 0.93 | — | — | |
| SCHEMBL8522333 | 0.91 | KMT2A (0.46) | — | |
| SCHEMBL8776291 | 0.91 | KMT2A (0.46) | — | |
| SCHEMBL10760687 | 0.91 | KMT2A (0.46) | — | |
| SCHEMBL11154756 | 0.72 | CA1 (0.48) | — | |
| SCHEMBL3467293 | 0.70 | KMT2A (0.50) | — | |
| SCHEMBL2632690 | 0.70 | — | — | |
| SCHEMBL13180222 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL14537424 | 0.64 | CA1 (0.40) | — | |
| SCHEMBL10719777 | 0.64 | MT-CO2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003077911-A1 | PHOTODYNAMIC THERAPY FOR PRE-MELANOMAS | ALLERGAN, INC. (US) | 2003-09-25 | — | — | WO | disclosed |