⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20193628 | 1.00 | — | — | |
| SCHEMBL16155407 | 0.76 | PTPN1 (0.33) | — | |
| SCHEMBL20193683 | 0.75 | CA2 (0.30) | — | |
| SCHEMBL16155394 | 0.75 | CA2 (0.30) | — | |
| SCHEMBL734849 | 0.72 | CA2 (0.32) | — | |
| SCHEMBL28595773 | 0.72 | CA2 (0.32) | — | |
| SCHEMBL28403395 | 0.69 | — | — | |
| SCHEMBL20193684 | 0.69 | PTPN1 (0.36) | — | |
| SCHEMBL16155393 | 0.69 | PTPN1 (0.36) | — | |
| SCHEMBL1487031 | 0.69 | CA2 (0.34) | — |
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-9982005-B2 | Macrolides and methods of their preparation and use | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-05-29 | — | — | US | disclosed |
| WO-2014165792-A2 | MACROLIDES AND METHODS OF THEIR PREPARATION AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-10-09 | — | — | WO | disclosed |