⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20154141 | 0.80 | — | — | |
| SCHEMBL21216220 | 0.77 | — | — | |
| SCHEMBL10140649 | 0.72 | CA12 (0.34) | — | |
| SCHEMBL12584827 | 0.72 | CA12 (0.34) | — | |
| SCHEMBL20793251 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL20793253 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL12837975 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL13233700 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL21374245 | 0.69 | KMT2A (0.42) | — | |
| SCHEMBL22969051 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190282654-A1 | DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF | OHIO STATE INNOVATION FOUNDATION | 2019-09-19 | — | — | US | disclosed |