⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19081402 | 0.95 | CYP1A1 (0.33) | — | |
| SCHEMBL19081421 | 0.94 | CYP1A1 (0.30) | — | |
| SCHEMBL19081410 | 0.88 | CYP1A1 (0.31) | — | |
| SCHEMBL19081347 | 0.88 | CYP1A1 (0.33) | — | |
| SCHEMBL19081416 | 0.88 | — | — | |
| SCHEMBL19082455 | 0.87 | ALOX5 (0.33) | — | |
| SCHEMBL19082450 | 0.86 | ALOX5 (0.34) | — | |
| SCHEMBL19081330 | 0.85 | CYP1A1 (0.32) | — | |
| SCHEMBL19081255 | 0.85 | CYP1A1 (0.34) | — | |
| SCHEMBL19081074 | 0.85 | CYP1A1 (0.33) | — |
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-20170194572-A1 | CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-07-06 | — | — | US | disclosed |
| US-20170194572-A1 | CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-07-06 | — | — | US | disclosed |