⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL844556 | 0.86 | DUT (0.33) | — | |
| SCHEMBL15166734 | 0.84 | DUT (0.33) | — | |
| SCHEMBL4059577 | 0.80 | DUT (0.33) | — | |
| SCHEMBL1803181 | 0.79 | HTR1B (0.31) | — | |
| SCHEMBL6897953 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL24722777 | 0.77 | — | — | |
| SCHEMBL12804234 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL4455945 | 0.76 | DUT (0.37) | — | |
| SCHEMBL553913 | 0.76 | HTT (0.34) | — | |
| SCHEMBL592575 | 0.75 | TSHR (0.38) | — |
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-20240270736-A1 | MACROCYCLIC HETEROCYCLES AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-08-15 | — | — | US | disclosed |