⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18175860 | 0.77 | — | — | |
| SCHEMBL25945444 | 0.69 | — | — | |
| SCHEMBL21312918 | 0.67 | MEN1 (0.36) | — | |
| SCHEMBL18430843 | 0.66 | CYP2A6 (0.38) | — | |
| SCHEMBL14340610 | 0.65 | — | — | |
| SCHEMBL25147667 | 0.64 | MAPT (0.42) | — | |
| SCHEMBL10292900 | 0.64 | LMNA (0.46) | — | |
| SCHEMBL18909699 | 0.63 | — | — | |
| SCHEMBL21162761 | 0.63 | — | — | |
| SCHEMBL22791453 | 0.63 | GRIN2D (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-9991452-B2 | Condensed-cyclic compound and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-06-05 | — | — | US | disclosed |