⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26679624 | 0.87 | LMNA (0.32) | — | |
| SCHEMBL26679772 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL30094756 | 0.84 | ESR1 (0.30) | — | |
| SCHEMBL30094937 | 0.84 | PTGER1 (0.31) | — | |
| SCHEMBL26679683 | 0.83 | MTNR1A (0.31) | — | |
| SCHEMBL30094984 | 0.82 | ELANE (0.30) | — | |
| SCHEMBL30094829 | 0.82 | — | — | |
| SCHEMBL30094735 | 0.82 | HTR2C (0.32) | — | |
| SCHEMBL30094750 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL21790219 | 0.78 | CFD (0.40) | — |
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-11814391-B2 | Macrocyclic compounds for the treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-11-14 | — | — | US | disclosed |