⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9223742 | 1.00 | — | — | |
| SCHEMBL9223745 | 1.00 | — | — | |
| SCHEMBL11045740 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL11045745 | 0.97 | ALDH1A1 (0.37) | — | |
| SCHEMBL62852 | 0.80 | — | — | |
| SCHEMBL62851 | 0.80 | — | — | |
| SCHEMBL164980 | 0.80 | — | — | |
| SCHEMBL723877 | 0.80 | CYP2D6 (0.41) | — | |
| Hydrochloric Acid SCHEMBL247261 | 0.78 | CYP2D6 (0.40) | — | |
| SCHEMBL21641518 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009056849-A1 | TREATMENT OF SPINAL CORD INJURY | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2009-05-07 | — | — | WO | claimed |
| WO-2009056849-A1 | TREATMENT OF SPINAL CORD INJURY | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2009-05-07 | — | — | WO | disclosed |