⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8427046 | 1.00 | — | — | |
| SCHEMBL8427040 | 1.00 | — | — | |
| SCHEMBL28920012 | 0.81 | — | — | |
| SCHEMBL10486158 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL10947984 | 0.72 | — | — | |
| SCHEMBL15328573 | 0.72 | — | — | |
| SCHEMBL9305318 | 0.72 | — | — | |
| SCHEMBL29481357 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL28920008 | 0.69 | — | — | |
| SCHEMBL11308993 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962659-A | PROCESS FOR PREPARING NOVEL COMPOUNDS FROM STARTING MATERIALS HAVING A HYDROXY SUBSTITUENT AT THE C-22 POSITION IN THE RING; USEFUL AS ANTHELMINTICALLY ACTIVE COMPOUNDS | PFIZER, INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0421568-A1 | Macrolide compounds | Beecham Group p.l.c. (GB) | 1991-04-10 | — | — | EP | disclosed |