⚠ 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 | |
|---|---|---|---|---|
| Urethane SCHEMBL407291 | 0.90 | ALOX15 (0.75) | — | |
| Urethane SCHEMBL23701684 | 0.90 | ALOX15 (0.75) | — | |
| Urethane SCHEMBL3176099 | 0.90 | — | — | |
| Urethane SCHEMBL29020848 | 0.90 | ALOX15 (0.75) | — | |
| Urethane SCHEMBL442854 | 0.88 | — | — | |
| Urethane SCHEMBL20497210 | 0.88 | ALOX15 (0.71) | — | |
| Urethane SCHEMBL667437 | 0.88 | ALOX15 (0.71) | — | |
| Urethane SCHEMBL2317184 | 0.88 | — | — | |
| Urethane SCHEMBL1247221 | 0.88 | ALOX15 (0.71) | — | |
| Urethane SCHEMBL27651296 | 0.88 | ALOX15 (0.71) | — |
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-5840056-A | Iontophoresis electrode | EMPI, INC. (US) | 1998-11-24 | — | — | US | claimed |
| US-20080068977-A1 | INFORMATION STORAGE MEDIUM AND DISK APPARATUS | KABUSHIKI KAISHA TOSHIBA (JP) | 2008-03-20 | — | — | US | disclosed |