⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6395362 | 0.78 | — | — | |
| SCHEMBL9664079 | 0.78 | CPN1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL25413212 | 0.77 | HRH3 (0.41) | — | |
| Hydrochloric Acid SCHEMBL25412839 | 0.77 | HRH3 (0.41) | — | |
| SCHEMBL13088413 | 0.76 | — | — | |
| SCHEMBL18358894 | 0.75 | — | — | |
| SCHEMBL18358895 | 0.75 | — | — | |
| SCHEMBL18358901 | 0.75 | — | — | |
| SCHEMBL26064878 | 0.72 | CPN1 (0.36) | — | |
| SCHEMBL19734409 | 0.72 | — | — |
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-20220396587-A1 | MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2022-12-15 | — | — | US | disclosed |