⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20857465 | 0.92 | GPR3 (0.31) | — | |
| SCHEMBL19954700 | 0.87 | GPR3 (0.33) | — | |
| SCHEMBL23874998 | 0.79 | GPR3 (0.45) | — | |
| SCHEMBL21779719 | 0.78 | GPR3 (0.31) | — | |
| SCHEMBL20381300 | 0.76 | — | — | |
| SCHEMBL18791736 | 0.75 | KDM4E (0.47) | — | |
| SCHEMBL18626366 | 0.71 | GPR3 (0.44) | — | |
| SCHEMBL15314332 | 0.71 | KDM4E (0.42) | — | |
| SCHEMBL18713340 | 0.70 | GPR3 (0.47) | — | |
| SCHEMBL21578607 | 0.70 | GPR3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11479544-B2 | Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device | IDEMITSU KOSAN CO., LTD. (JP) | 2022-10-25 | — | — | US | disclosed |
| US-9972786-B2 | Aromatic amine derivative, and organic electroluminescent element | IDEMITSU KOSAN CO., LTD. (JP) | 2018-05-15 | — | — | US | disclosed |