⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28256015 | 0.89 | — | — | |
| Butane SCHEMBL3984103 | 0.84 | — | — | |
| Propane SCHEMBL27533742 | 0.84 | — | — | |
| SCHEMBL9788071 | 0.78 | — | — | |
| SCHEMBL37612 | 0.78 | — | — | |
| SCHEMBL20187242 | 0.77 | — | — | |
| Hexane SCHEMBL1115996 | 0.77 | TSHR (0.50) | — | |
| Ethylamine SCHEMBL28061240 | 0.77 | DNM1 (0.30) | — | |
| Alcohol SCHEMBL7919848 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL250766 | 0.75 | — | — |
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-7258958-B2 | Organic photoreceptor, process cartridge, image forming apparatus, and image forming method | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2007-08-21 | — | — | US | disclosed |