⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29391963 | 0.78 | — | — | |
| SCHEMBL23254520 | 0.78 | — | — | |
| SCHEMBL28818637 | 0.77 | — | — | |
| SCHEMBL22046591 | 0.76 | — | — | |
| SCHEMBL18218224 | 0.74 | — | — | |
| SCHEMBL4074684 | 0.74 | — | — | |
| SCHEMBL17483144 | 0.74 | — | — | |
| SCHEMBL13108076 | 0.74 | — | — | |
| SCHEMBL13817497 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL8286632 | 0.73 | ALDH1A1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180066008-A1 | MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-03-08 | — | — | US | disclosed |