⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14325524 | 0.83 | ACE (0.38) | — | |
| SCHEMBL21690505 | 0.83 | HDAC7 (0.35) | — | |
| SCHEMBL23314116 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL21899478 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL22215611 | 0.80 | GABRR1 (0.39) | — | |
| SCHEMBL31510814 | 0.79 | ACE (0.42) | — | |
| SCHEMBL22702614 | 0.78 | FOLH1 (0.42) | — | |
| SCHEMBL22599069 | 0.78 | FOLH1 (0.42) | — | |
| SCHEMBL20234602 | 0.78 | BLM (0.37) | — | |
| SCHEMBL21216094 | 0.78 | — | — |
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-11793884-B2 | Cyclic peptidyl inhibitors of CAL-PDZ binding domain | OHIO STATE INNOVATION FOUNDATION (US) | 2023-10-24 | — | — | US | disclosed |
| US-20210038737-A1 | CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN | OHIO STATE INNOVATION FOUNDATION | 2021-02-11 | — | — | US | disclosed |