⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762940 | 0.93 | CYP19A1 (0.34) | — | |
| SCHEMBL741384 | 0.90 | KDM1A (0.40) | — | |
| SCHEMBL742434 | 0.83 | CYP19A1 (0.42) | — | |
| SCHEMBL742444 | 0.82 | KDM1A (0.39) | — | |
| SCHEMBL3368777 | 0.81 | KDM1A (0.37) | — | |
| SCHEMBL731895 | 0.77 | PARP1 (0.33) | — | |
| SCHEMBL741386 | 0.76 | KDM1A (0.46) | — | |
| SCHEMBL12060813 | 0.74 | CYP19A1 (0.37) | — | |
| SCHEMBL3366305 | 0.73 | CYP17A1 (0.33) | — | |
| SCHEMBL3465560 | 0.73 | KDM1A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8138179-B2 | Spiro-imidazo compounds | NOVARTIS AG (CH) | 2012-03-20 | — | — | US | disclosed |
| US-20090192145-A1 | Spiro-Imidazo Compounds | SPEEDEL EXPERIMENTA AG (CH) | 2009-07-30 | — | — | US | disclosed |