⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2467381 | 0.91 | — | — | |
| SCHEMBL16970391 | 0.59 | — | — | |
| SCHEMBL3308700 | 0.57 | — | — | |
| SCHEMBL12551867 | 0.55 | — | — | |
| SCHEMBL531580 | 0.52 | — | — | |
| Cyclopropane SCHEMBL8458722 | 0.47 | — | — | |
| Cyclohexane SCHEMBL3238845 | 0.47 | CES2 (0.35) | — | |
| SCHEMBL9874550 | 0.45 | — | — | |
| SCHEMBL20917734 | 0.45 | — | — | |
| Cyclohexane SCHEMBL726989 | 0.42 | — | — |
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-5693410-A | Ink jet transparencies | XEROX CORPORATION (US) | 1997-12-02 | — | — | US | claimed |
| US-5897940-A | Ink jet transparencies | XEROX CORPORATION (US) | 1999-04-27 | — | — | US | disclosed |
| US-5693410-A | Ink jet transparencies | XEROX CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |