⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276427 | 1.00 | — | — | |
| SCHEMBL18664252 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17748959 | 0.97 | CA2 (0.71) | — | |
| Methane SCHEMBL28580672 | 0.97 | CA2 (0.71) | — | |
| SCHEMBL14571349 | 0.95 | CA2 (0.68) | — | |
| Sulfuric Acid SCHEMBL28583675 | 0.91 | CA2 (0.63) | — | |
| Formic Acid SCHEMBL28659958 | 0.91 | CA2 (0.63) | — | |
| Valpromide SCHEMBL35392 | 0.89 | CA2 (0.58) | — | |
| SCHEMBL28370065 | 0.89 | CA2 (0.61) | — | |
| SCHEMBL13375642 | 0.88 | CA2 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321265-A1 | 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS | Gilead Sciences, Inc. (US) | 2018-05-16 | — | — | EP | disclosed |