⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23915498 | 0.90 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL15147492 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL20364862 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL16884595 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL126773 | 0.87 | — | — | |
| SCHEMBL17928352 | 0.86 | — | — | |
| SCHEMBL18751741 | 0.86 | — | — | |
| SCHEMBL18914924 | 0.83 | — | — | |
| SCHEMBL12690459 | 0.81 | HPGD (0.36) | — | |
| SCHEMBL18751732 | 0.81 | HPGD (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120064107-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE | CERULEAN PHARMA INC. (US) | 2012-03-15 | — | — | US | disclosed |