⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25097551 | 0.66 | TLR9 (0.32) | — | |
| SCHEMBL1790448 | 0.64 | PDE10A (0.32) | — | |
| SCHEMBL24287643 | 0.62 | CYP11B1 (0.30) | — | |
| SCHEMBL23612780 | 0.62 | CNR2 (0.33) | — | |
| SCHEMBL18135473 | 0.60 | PTGS1 (0.32) | — | |
| SCHEMBL24287956 | 0.59 | — | — | |
| SCHEMBL24287695 | 0.59 | TLR9 (0.34) | — | |
| SCHEMBL24199123 | 0.58 | — | — | |
| SCHEMBL24287716 | 0.57 | — | — | |
| SCHEMBL12251088 | 0.56 | — | — |
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 4 patents. 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 |
| US-11814391-B2 | Macrocyclic compounds for the treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-11-14 | — | — | US | disclosed |
| US-20230357199-A1 | ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. | 2023-11-09 | — | — | US | disclosed |
| US-11708351-B2 | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-07-25 | — | — | US | disclosed |