⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15724546 | 0.94 | — | — | |
| SCHEMBL2432495 | 0.75 | — | — | |
| SCHEMBL329331 | 0.73 | GBA1 (0.32) | — | |
| SCHEMBL5282947 | 0.71 | TP53 (0.31) | — | |
| SCHEMBL667070 | 0.71 | — | — | |
| SCHEMBL5278925 | 0.71 | — | — | |
| SCHEMBL5282358 | 0.70 | TP53 (0.30) | — | |
| SCHEMBL5296936 | 0.70 | TP53 (0.30) | — | |
| SCHEMBL5286518 | 0.70 | EBP (0.36) | — | |
| SCHEMBL5287172 | 0.70 | GBA1 (0.31) | — |
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 |