⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17220361 | 0.98 | — | — | |
| SCHEMBL18023098 | 0.82 | — | — | |
| SCHEMBL23706689 | 0.77 | — | — | |
| SCHEMBL19091520 | 0.77 | — | — | |
| SCHEMBL6121305 | 0.72 | — | — | |
| SCHEMBL13370147 | 0.67 | EPHX1 (0.34) | — | |
| SCHEMBL13370634 | 0.67 | EPHX1 (0.34) | — | |
| SCHEMBL104851 | 0.66 | — | — | |
| SCHEMBL797242 | 0.64 | GNAI3 (0.32) | — | |
| Water SCHEMBL27734246 | 0.64 | SLC6A2 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150025057-A1 | Triazine-oxadiazoles | NOVARTIS AG (CH) | 2015-01-22 | — | — | US | disclosed |
| US-8895733-B2 | Triazine-oxadiazoles | NOVARTIS AG (CH) | 2014-11-25 | — | — | US | disclosed |
| US-20140051676-A1 | Triazine-oxadiazoles | NOVARTIS AG (CH) | 2014-02-20 | — | — | US | disclosed |
| EP-2616465-A1 | TRIAZINE-OXADIAZOLES | Novartis AG (CH) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035023-A1 | TRIAZINE-OXADIAZOLES | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |