⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20989342 | 0.81 | — | — | |
| SCHEMBL19733695 | 0.76 | — | — | |
| SCHEMBL1133021 | 0.72 | — | — | |
| SCHEMBL178547 | 0.69 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL28055462 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL31115771 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL21478038 | 0.67 | — | — | |
| SCHEMBL2264839 | 0.67 | — | — | |
| SCHEMBL23219859 | 0.65 | — | — | |
| SCHEMBL22338167 | 0.65 | — | — |
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-2023109878-A1 | TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2023-06-22 | — | — | WO | disclosed |
| CN-115850192-A | Process for preparing 3,4-dihydroquinazoline derivatives | 南京正大天晴制药有限公司 | 2023-03-28 | — | — | CN | disclosed |