⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12445098 | 0.93 | CASR (0.32) | — | |
| SCHEMBL16018501 | 0.93 | CASR (0.32) | — | |
| SCHEMBL16018505 | 0.93 | CASR (0.32) | — | |
| SCHEMBL16018503 | 0.93 | CASR (0.32) | — | |
| SCHEMBL16018522 | 0.79 | CASR (0.32) | — | |
| SCHEMBL16018502 | 0.79 | CASR (0.32) | — | |
| SCHEMBL16018520 | 0.79 | CASR (0.32) | — | |
| SCHEMBL16018507 | 0.79 | CASR (0.32) | — | |
| SCHEMBL25444635 | 0.78 | PDK2 (0.37) | — | |
| SCHEMBL22402534 | 0.78 | PDK2 (0.37) | — |
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-9450119-B2 | Bibenzo[B]furan compound, photoelectric conversion material, and photoelectric conversion element | ADEKA CORPORATION (JP) | 2016-09-20 | — | — | US | disclosed |
| US-20140252278-A1 | BIBENZO[B]FURAN COMPOUND, PHOTOELECTRIC CONVERSION MATERIAL, AND PHOTOELECTRIC CONVERSION ELEMENT | ADEKA CORPORATION (JP) | 2014-09-11 | — | — | US | disclosed |