⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20215584 | 0.90 | EGFR (0.30) | — | |
| SCHEMBL20215590 | 0.87 | — | — | |
| SCHEMBL20215598 | 0.84 | — | — | |
| SCHEMBL17879911 | 0.77 | HSD17B1 (0.31) | — | |
| SCHEMBL20466400 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL6938931 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL20466416 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL26055704 | 0.69 | MCL1 (0.38) | — | |
| SCHEMBL20466433 | 0.69 | HSD17B1 (0.40) | — | |
| SCHEMBL24029726 | 0.69 | HPRT1 (0.42) | — |
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 |