⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24296936 | 0.81 | TRPA1 (0.32) | — | |
| SCHEMBL24296935 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL24361843 | 0.66 | KMT2A (0.30) | — | |
| SCHEMBL24296719 | 0.63 | PARP15 (0.39) | — | |
| SCHEMBL7899820 | 0.61 | POLB (0.34) | — | |
| SCHEMBL19531654 | 0.60 | BRD4 (0.34) | — | |
| SCHEMBL12258194 | 0.60 | LMNA (0.32) | — | |
| SCHEMBL6127947 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL25481641 | 0.60 | MAPT (0.36) | — | |
| SCHEMBL24296701 | 0.59 | KCNMA1 (0.44) | — |
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-11518763-B2 | Macrocyclic compound and use thereof | SCOHIA PHARMA, INC. (JP) | 2022-12-06 | — | — | US | disclosed |
| US-20220119391-A1 | MACROCYCLIC COMPOUND AND USE THEREOF | SCOHIA PHARMA, INC. (JP) | 2022-04-21 | — | — | US | disclosed |