⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5277916 | 0.67 | — | — | |
| SCHEMBL24499237 | 0.64 | — | — | |
| SCHEMBL24498715 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL29184197 | 0.61 | — | — | |
| SCHEMBL23917942 | 0.61 | — | — | |
| SCHEMBL5329952 | 0.58 | FYN (0.30) | — | |
| SCHEMBL13012535 | 0.56 | — | — | |
| SCHEMBL9680302 | 0.50 | — | — | |
| SCHEMBL12996755 | 0.50 | — | — | |
| SCHEMBL12855521 | 0.48 | — | — |
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-20210317153-A1 | IRIDIUM (III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR USE THEREOF IN CANCER TREATMENT | THE UNIVERSITY OF HONG KONG (HK) | 2021-10-14 | — | — | US | disclosed |