⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31170084 | 0.74 | KDM4A (0.42) | — | |
| SCHEMBL729136 | 0.74 | — | — | |
| SCHEMBL19221397 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL21510775 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL728781 | 0.72 | — | — | |
| SCHEMBL4913736 | 0.72 | — | — | |
| Sarcosine SCHEMBL27720707 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL19649598 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27282182 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL13680073 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022237903-A1 | QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-11-17 | — | — | WO | disclosed |
| WO-2005007641-A1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2005-01-27 | — | — | WO | disclosed |