⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4810675 | 1.00 | — | — | |
| SCHEMBL4808752 | 0.83 | HDAC6 (0.34) | — | |
| SCHEMBL3512995 | 0.70 | HDAC6 (0.40) | — | |
| SCHEMBL4810887 | 0.70 | HDAC6 (0.40) | — | |
| SCHEMBL4805879 | 0.67 | HDAC6 (0.42) | — | |
| SCHEMBL4806029 | 0.64 | HDAC6 (0.37) | — | |
| SCHEMBL296319 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL14484474 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL891743 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL1890724 | 0.59 | HDAC6 (0.59) | — |
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-7402417-B2 | P450 oxygenases and methods of use | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2008-07-22 | — | — | US | disclosed |
| US-20060179507-A1 | P450 oxygenases and methods of use | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION | 2006-08-10 | — | — | US | disclosed |