⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23612780 | 0.69 | CNR2 (0.33) | — | |
| SCHEMBL20329067 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL24708679 | 0.66 | — | — | |
| SCHEMBL20699027 | 0.64 | GABRA1 (0.31) | — | |
| SCHEMBL31197246 | 0.63 | TDO2 (0.34) | — | |
| SCHEMBL20047458 | 0.63 | PDK2 (0.32) | — | |
| SCHEMBL18101010 | 0.63 | CYP11B1 (0.38) | — | |
| SCHEMBL24287695 | 0.62 | TLR9 (0.34) | — | |
| SCHEMBL17721728 | 0.62 | CNR2 (0.38) | — | |
| SCHEMBL21152167 | 0.62 | CNR2 (0.30) | — |
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 6 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-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 |
| US-11708351-B2 | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-07-25 | — | — | US | disclosed |