⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17524675 | 1.00 | — | — | |
| SCHEMBL12843359 | 1.00 | — | — | |
| SCHEMBL31194875 | 0.84 | — | — | |
| SCHEMBL13416547 | 0.84 | — | — | |
| SCHEMBL11114567 | 0.84 | — | — | |
| SCHEMBL15033264 | 0.83 | — | — | |
| SCHEMBL13261389 | 0.82 | KDM4E (0.42) | — | |
| Hydrochloric Acid SCHEMBL11113273 | 0.82 | KDM4E (0.38) | — | |
| SCHEMBL19155459 | 0.82 | KDM4E (0.42) | — | |
| SCHEMBL340834 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024103400-A1 | POLYCYCLIC COMPOUND AS GPR75 ACTIVATOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 水木未来(北京)科技有限公司 | 2024-05-23 | — | — | WO | disclosed |
| WO-2015200349-A2 | ELASTASE INHIBITORS | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-12-30 | — | — | WO | disclosed |
| WO-2015179823-A2 | LUNG LOCALIZED INHIBITORS OF ALPHA(V)BETA 6 | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-11-26 | — | — | WO | disclosed |
| WO-2015003083-A1 | COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS | THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2015-01-08 | — | — | WO | disclosed |
| US-20120178914-A1 | POLYPEPTIDE MODIFICATION | VYBION, INC. (US) | 2012-07-12 | — | — | US | disclosed |