⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21709526 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL15020816 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL11726630 | 0.69 | — | — | |
| SCHEMBL11255811 | 0.67 | — | — | |
| SCHEMBL15412951 | 0.66 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL14073865 | 0.64 | MAOB (0.36) | — | |
| SCHEMBL10261078 | 0.64 | PYCR1 (0.33) | — | |
| SCHEMBL25498598 | 0.64 | PYCR1 (0.33) | — | |
| SCHEMBL17804031 | 0.64 | — | — | |
| SCHEMBL3020647 | 0.64 | — | — |
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-2016094688-A1 | FUSED 1,3-AZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-06-16 | — | — | WO | disclosed |