⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27747300 | 0.98 | — | — | |
| SCHEMBL4531307 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL4531306 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL14992933 | 0.81 | — | — | |
| SCHEMBL430852 | 0.81 | — | — | |
| SCHEMBL27623237 | 0.78 | ALDH1A1 (0.39) | — | |
| Ethylene SCHEMBL29582288 | 0.77 | — | — | |
| SCHEMBL27538005 | 0.77 | — | — | |
| SCHEMBL11113621 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL11101894 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101004561-B | Electrophotographic photoconductor, and image forming apparatus, process cartridge and image forming method using the same | RICOH KK | 2010-10-13 | — | — | CN | disclosed |
| CN-101004561-A | Electrophotographic photoconductor, and image forming apparatus, process cartridge and image forming method using the same | RICOH KK (JP) | 2007-07-25 | — | — | CN | disclosed |