⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25964148 | 1.00 | — | — | |
| SCHEMBL20055083 | 0.80 | — | — | |
| SCHEMBL19993494 | 0.76 | — | — | |
| SCHEMBL18611131 | 0.74 | — | — | |
| SCHEMBL22355156 | 0.72 | — | — | |
| SCHEMBL20992234 | 0.72 | — | — | |
| SCHEMBL20113269 | 0.72 | — | — | |
| SCHEMBL24172571 | 0.70 | — | — | |
| SCHEMBL21499692 | 0.69 | — | — | |
| SCHEMBL23340567 | 0.69 | — | — |
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-11053253-B2 | Macrocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-07-06 | — | — | US | disclosed |
| US-10287301-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2019-05-14 | — | — | US | disclosed |