⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19153879 | 0.75 | NOS1 (0.33) | — | |
| SCHEMBL20324038 | 0.68 | NOS1 (0.36) | — | |
| SCHEMBL22259921 | 0.68 | FUCA1 (0.34) | — | |
| SCHEMBL23660438 | 0.68 | — | — | |
| SCHEMBL21077085 | 0.65 | — | — | |
| SCHEMBL27605829 | 0.64 | NOS3 (0.31) | — | |
| SCHEMBL24044276 | 0.64 | — | — | |
| SCHEMBL20628146 | 0.63 | — | — | |
| SCHEMBL18392811 | 0.63 | NOS3 (0.33) | — | |
| SCHEMBL19001739 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4015618-A1 | CELL EXPANSION | Terumo BCT, Inc. (US) | 2022-06-22 | — | — | EP | disclosed |