⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8373081 | 0.79 | CHRM2 (0.32) | — | |
| SCHEMBL5987704 | 0.77 | — | — | |
| SCHEMBL17465636 | 0.74 | GRIN2D (0.36) | — | |
| SCHEMBL13451620 | 0.72 | — | — | |
| SCHEMBL8252953 | 0.72 | — | — | |
| SCHEMBL8266336 | 0.72 | — | — | |
| SCHEMBL25628754 | 0.71 | CYP1A2 (0.39) | — | |
| SCHEMBL23536632 | 0.71 | VNN1 (0.38) | — | |
| SCHEMBL10062257 | 0.70 | — | — | |
| SCHEMBL21451469 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3915992-A1 | PDE9 INHIBITOR AND USE THEREOF | Transthera Sciences (Nanjing), Inc. (CN) | 2021-12-01 | — | — | EP | disclosed |
| WO-2021231927-A1 | ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2021-11-18 | — | — | WO | disclosed |