⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27770406 | 0.77 | MAPT (0.40) | — | |
| SCHEMBL9004386 | 0.66 | KCNH2 (0.41) | — | |
| SCHEMBL20307192 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL23714660 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL18518004 | 0.65 | KDM4E (0.39) | — | |
| SCHEMBL24182181 | 0.62 | TDP1 (0.33) | — | |
| SCHEMBL10825104 | 0.61 | TSHR (0.35) | — | |
| SCHEMBL103250 | 0.61 | IDO1 (0.40) | — | |
| SCHEMBL28289455 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL14404743 | 0.60 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-3473634-A1 | HETEROLEPTIC IRIDIUM CARBENE COMPLEXES AND LIGHT EMITTING DEVICE USING THEM | Universal Display Corporation (US) | 2019-04-24 | — | — | EP | disclosed |