⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24251688 | 1.00 | — | — | |
| SCHEMBL13090296 | 0.75 | PDCD1 (0.33) | — | |
| SCHEMBL16441811 | 0.75 | — | — | |
| SCHEMBL20680846 | 0.75 | CCR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2909915 | 0.74 | PDCD1 (0.32) | — | |
| SCHEMBL19936071 | 0.74 | — | — | |
| SCHEMBL24996436 | 0.74 | — | — | |
| SCHEMBL30763482 | 0.74 | — | — | |
| SCHEMBL24251691 | 0.74 | — | — | |
| SCHEMBL16441682 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240327402-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY | ABBISKO THERAPEUTICS CO., LTD. (CN) | 2024-10-03 | — | — | US | disclosed |
| CN-115836064-B | Triazine derivative with EGFR (epidermal growth factor receptor) inhibition activity as well as preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2024-08-27 | — | — | CN | disclosed |
| CN-117440945-A | Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy | 上海和誉生物医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-115867539-A | 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-115836064-A | Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| WO-2022116995-A1 | 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海和誉生物医药科技有限公司 | 2022-06-09 | — | — | WO | disclosed |
| WO-2022033455-A1 | TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-02-17 | — | — | WO | disclosed |