⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19432233 | 1.00 | — | — | |
| SCHEMBL18638491 | 1.00 | — | — | |
| SCHEMBL24621607 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL26976459 | 0.88 | — | — | |
| SCHEMBL18664292 | 0.83 | — | — | |
| SCHEMBL26976460 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL18124659 | 0.77 | — | — | |
| SCHEMBL18124701 | 0.77 | — | — | |
| SCHEMBL18125149 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL18125200 | 0.76 | TSHR (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3722297-A1 | TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS | Gilead Sciences, Inc. (US) | 2020-10-14 | — | — | EP | disclosed |
| 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 |
| WO-2017048727-A1 | MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2017-03-23 | — | — | WO | disclosed |