⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26064903 | 0.91 | — | — | |
| SCHEMBL20466665 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL14295715 | 0.82 | MMP12 (0.35) | — | |
| SCHEMBL14295672 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL18252644 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL20466653 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL14295681 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL9916346 | 0.79 | MMP12 (0.36) | — | |
| SCHEMBL9916733 | 0.79 | MMP12 (0.36) | — | |
| SCHEMBL9916360 | 0.79 | MMP12 (0.36) | — |
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-11744146-B2 | Amine-based compound and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-08-29 | — | — | US | disclosed |