⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21106759 | 0.83 | — | — | |
| SCHEMBL17379160 | 0.83 | — | — | |
| SCHEMBL17379567 | 0.83 | — | — | |
| SCHEMBL17379431 | 0.83 | — | — | |
| SCHEMBL16203967 | 0.81 | — | — | |
| SCHEMBL5951041 | 0.81 | — | — | |
| SCHEMBL16657273 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL9618248 | 0.81 | — | — | |
| SCHEMBL20614522 | 0.78 | — | — | |
| SCHEMBL21566588 | 0.78 | TRPA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9982009-B2 | Methods for treating polycystic kidney disease and polycystic liver disease | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-05-29 | — | — | US | disclosed |
| US-20160214996-A1 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | WELL NOVA LIMITED (VG) | 2016-07-28 | — | — | US | disclosed |
| US-20150105361-A1 | METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE AND POLYCYSTIC LIVER DISEASE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-04-16 | — | — | US | disclosed |