⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL390654 | 0.83 | — | — | |
| Bromide SCHEMBL11360720 | 0.81 | ALDH1A1 (0.57) | — | |
| SCHEMBL21958066 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL507581 | 0.76 | — | — | |
| SCHEMBL30201085 | 0.76 | — | — | |
| SCHEMBL30345183 | 0.75 | — | — | |
| SCHEMBL7062239 | 0.74 | — | — | |
| SCHEMBL3087900 | 0.74 | — | — | |
| SCHEMBL10041246 | 0.74 | — | — | |
| SCHEMBL19743753 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115697986-B | Isotopically substituted spiro aromatic compounds and uses thereof | 上海奕拓医药科技有限责任公司 | 2024-10-25 | — | — | CN | disclosed |
| US-20230242551-A1 | ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF | ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) | 2023-08-03 | — | — | US | disclosed |
| EP-4166549-A1 | ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF | Etern Biopharma (Shanghai) Co., Ltd. (CN) | 2023-04-19 | — | — | EP | disclosed |