⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25764781 | 0.83 | KMT2A (0.40) | — | |
| SCHEMBL3841098 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL30148759 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL3845360 | 0.79 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL6681964 | 0.77 | — | — | |
| SCHEMBL133589 | 0.77 | — | — | |
| SCHEMBL6963808 | 0.77 | — | — | |
| SCHEMBL3839195 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL29349442 | 0.77 | — | — | |
| SCHEMBL3839098 | 0.77 | ALDH1A1 (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230225189-A1 | LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-07-13 | — | — | US | disclosed |
| WO-2020079652-A1 | KINASE INHIBITORS | Insilico Medicine Hong Kong Limited (CN) | 2020-04-23 | — | — | WO | disclosed |