⚠ 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL11361399 | 0.87 | ALOX15 (0.47) | — | |
| Oxalic Acid SCHEMBL11420363 | 0.87 | ALOX15 (0.47) | — | |
| SCHEMBL15177364 | 0.77 | — | — | |
| SCHEMBL431732 | 0.77 | KDM1A (0.42) | — | |
| SCHEMBL431733 | 0.77 | KDM1A (0.42) | — | |
| SCHEMBL37294 | 0.74 | — | — | |
| SCHEMBL37295 | 0.74 | — | — | |
| SCHEMBL56167 | 0.74 | — | — | |
| SCHEMBL11575290 | 0.74 | — | — | |
| SCHEMBL12377078 | 0.74 | — | — |
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-2016174079-A1 | RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2016-11-03 | — | — | WO | disclosed |