⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20488553 | 0.93 | LMNA (0.33) | — | |
| SCHEMBL25940356 | 0.88 | KRAS (0.34) | — | |
| SCHEMBL29854951 | 0.88 | — | — | |
| SCHEMBL25940383 | 0.82 | CFD (0.41) | — | |
| SCHEMBL25940390 | 0.81 | — | — | |
| SCHEMBL20489090 | 0.81 | KRAS (0.32) | — | |
| SCHEMBL23629630 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL29855453 | 0.77 | KRAS (0.31) | — | |
| SCHEMBL20487929 | 0.75 | CFD (0.43) | — | |
| SCHEMBL26679683 | 0.75 | MTNR1A (0.31) | — |
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-11718626-B2 | Macrocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-08-08 | — | — | US | disclosed |