⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL360779 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL19858490 | 0.75 | ALDH1A1 (0.45) | — | |
| Acetic Acid SCHEMBL29047023 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL1330344 | 0.71 | — | — | |
| SCHEMBL1331977 | 0.71 | — | — | |
| SCHEMBL5305593 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL9866292 | 0.71 | — | — | |
| SCHEMBL1331774 | 0.71 | — | — | |
| SCHEMBL523 | 0.71 | — | — | |
| SCHEMBL6063757 | 0.68 | — | — |
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-20070173935-A1 | Nucleus pulposus augmentation pretreatment technique | DEPUY SPINE, INC. | 2007-07-26 | — | — | US | claimed |
| US-20070173935-A1 | Nucleus pulposus augmentation pretreatment technique | DEPUY SPINE, INC. | 2007-07-26 | — | — | US | disclosed |