⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23463737 | 1.00 | — | — | |
| SCHEMBL20008236 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL26399662 | 0.81 | — | — | |
| SCHEMBL24703744 | 0.81 | — | — | |
| SCHEMBL23379935 | 0.80 | METAP1 (0.31) | — | |
| SCHEMBL20441556 | 0.79 | — | — | |
| SCHEMBL18124670 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL18124644 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL18124652 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL17972638 | 0.77 | TSHR (0.31) | — |
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 |