⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8431086 | 0.78 | METAP2 (0.35) | — | |
| SCHEMBL405842 | 0.78 | — | — | |
| SCHEMBL26127317 | 0.78 | CCR1 (0.44) | — | |
| SCHEMBL2462292 | 0.78 | DYRK1A (0.30) | — | |
| SCHEMBL1673128 | 0.78 | — | — | |
| SCHEMBL2458453 | 0.75 | CCR1 (0.41) | — | |
| SCHEMBL26128744 | 0.74 | IDO1 (0.33) | — | |
| SCHEMBL26129630 | 0.74 | IMPDH2 (0.35) | — | |
| SCHEMBL26128856 | 0.74 | MITF (0.32) | — | |
| SCHEMBL28054791 | 0.72 | BTK (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023183813-A2 | BORON-CAPPED CLATHROCHELATE AND MACROCYCLIC LIGANDS AND METAL COMPLEXES THEREOF | U-REIF INVESTMENTS LIMITED PARTNERSHIP (CA) | 2023-09-28 | — | — | WO | disclosed |