⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17097355 | 0.74 | — | — | |
| SCHEMBL28237716 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7428077 | 0.67 | — | — | |
| SCHEMBL28132896 | 0.62 | — | — | |
| SCHEMBL5241105 | 0.60 | — | — | |
| SCHEMBL28370617 | 0.58 | CYP1A2 (0.48) | — | |
| SCHEMBL15849787 | 0.56 | MEN1 (0.30) | — | |
| SCHEMBL4718887 | 0.56 | AKR1B1 (0.31) | — | |
| SCHEMBL4848721 | 0.56 | — | — | |
| SCHEMBL27960019 | 0.56 | CYP2A6 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6878822-B2 | Ethylene derivative having a nitrogen-containing 7-membered ring | FUJI PHOTO FILM CO., LTD. (JP) | 2005-04-12 | — | — | US | disclosed |
| US-20030065171-A1 | Luminescent element material, luminescent element, ethylene derivative having n-containing 7-membered ring, and benzoazepine derivative | FUJI PHOTO FILM CO., LTD. | 2003-04-03 | — | — | US | disclosed |
| US-6413657-B1 | FOR USE IN ELECTRICAL DEVICES AND IN ELECTROPHOTOGRAPHY PHOTORECEPTORS | FUJI PHOTO FILM CO., LTD. (JP) | 2002-07-02 | — | — | US | disclosed |