⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131152 | 0.78 | — | — | |
| SCHEMBL11177532 | 0.76 | HCAR2 (0.32) | — | |
| SCHEMBL11207248 | 0.76 | — | — | |
| SCHEMBL9637767 | 0.74 | TSHR (0.43) | — | |
| Water SCHEMBL11033305 | 0.74 | HCAR2 (0.31) | — | |
| SCHEMBL11207271 | 0.74 | — | — | |
| SCHEMBL5209514 | 0.74 | MAPT (0.33) | — | |
| SCHEMBL4847369 | 0.72 | HCAR2 (0.30) | — | |
| SCHEMBL8895865 | 0.71 | CHRNB2 (0.30) | — | |
| SCHEMBL4854686 | 0.69 | — | — |
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-111196821-B | Compounds, preparation method thereof and application thereof as near-infrared two-region fluorescent probe for detecting methylglyoxal | 中国科学院上海药物研究所 | 2022-11-29 | — | — | CN | disclosed |
| WO-1992019278-A1 | USE OF MACROLIDE COMPOUNDS FOR EYE DISEASES | KURUME UNIVERSITY (JP) | 1992-11-12 | — | — | WO | disclosed |
| WO-1991019495-A1 | USE OF A MACROLIDE COMPOUND SUCH AS FK 506 FOR MANUFACTURING A MEDICAMENT FOR TREATING IDIOPATHIC THROMBOCYTOPENIC PURPURA AND BASEDOW'S DISEASE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-12-26 | — | — | WO | disclosed |