⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42667 | 0.73 | — | — | |
| SCHEMBL111715 | 0.66 | — | — | |
| SCHEMBL3627675 | 0.66 | — | — | |
| SCHEMBL13550720 | 0.60 | — | — | |
| SCHEMBL6752722 | 0.60 | — | — | |
| SCHEMBL11295633 | 0.59 | — | — | |
| SCHEMBL10546391 | 0.59 | — | — | |
| SCHEMBL15692252 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL14980267 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL11892059 | 0.56 | — | — |
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-6252014-B1 | CROSSLINKING | COLORADO SCHOOL OF MINES | 2001-06-26 | — | — | US | disclosed |