⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12588670 | 0.97 | — | — | |
| SCHEMBL16181459 | 0.86 | — | — | |
| SCHEMBL13659148 | 0.86 | TDP1 (0.30) | — | |
| SCHEMBL11983659 | 0.84 | TDP1 (0.36) | — | |
| SCHEMBL15470786 | 0.84 | TDP1 (0.31) | — | |
| SCHEMBL15470789 | 0.83 | TDP1 (0.32) | — | |
| SCHEMBL7569354 | 0.83 | TDP1 (0.35) | — | |
| SCHEMBL7568918 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL15470794 | 0.81 | — | — | |
| SCHEMBL12952370 | 0.80 | TDP1 (0.33) | — |
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-8865029-B2 | Photochromic polymer and composition comprising photochromic polymer | Vivimed Labs Europe Ltd. (GB) | 2014-10-21 | — | — | US | disclosed |
| US-8704001-B2 | Deuterated 2-amino-3-hydroxypropanoic acid derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-20110147681-A1 | Photochromic Polymer and Composition Comprising Photochromic Polymer | ADVANCED POLYMERIK PTY LTD (AU) | 2011-06-23 | — | — | US | disclosed |