⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11869488 | 0.68 | MAOA (0.46) | — | |
| SCHEMBL11533284 | 0.67 | KMT2A (0.49) | — | |
| SCHEMBL2772247 | 0.66 | MAPK8 (0.32) | — | |
| SCHEMBL7627859 | 0.66 | ACHE (0.62) | — | |
| SCHEMBL1022897 | 0.63 | MAOA (0.42) | — | |
| SCHEMBL5952037 | 0.63 | ACHE (0.36) | — | |
| SCHEMBL11874566 | 0.63 | MAOA (0.60) | — | |
| SCHEMBL28240969 | 0.63 | — | — | |
| SCHEMBL18197788 | 0.61 | — | — | |
| SCHEMBL16377312 | 0.59 | S100A4 (0.55) | — |
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-2230243-A1 | Pharmaceutical compounds | Neuroscienze Pharmaness S.C. A R.L. (IT) | 2010-09-22 | — | — | EP | disclosed |
| US-20100215759-A1 | PHARMACEUTICAL COMPOUNDS | NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) | 2010-08-26 | — | — | US | disclosed |