⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21480525 | 0.77 | — | — | |
| SCHEMBL22183447 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL24728124 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL14548731 | 0.69 | — | — | |
| SCHEMBL24335210 | 0.68 | — | — | |
| SCHEMBL23809454 | 0.67 | CA2 (0.38) | — | |
| SCHEMBL23808970 | 0.67 | CA2 (0.38) | — | |
| SCHEMBL830542 | 0.65 | — | — | |
| SCHEMBL20117575 | 0.65 | — | — | |
| SCHEMBL21728019 | 0.64 | — | — |
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-20230257396-A1 | MACROCYCLES AND THEIR USE | BLOSSOMHILL THERAPEUTICS INC (US) | 2023-08-17 | — | — | US | disclosed |