⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1592251 | 1.00 | — | — | |
| SCHEMBL26429227 | 0.83 | — | — | |
| SCHEMBL18898574 | 0.79 | — | — | |
| SCHEMBL27667631 | 0.79 | — | — | |
| SCHEMBL27917736 | 0.79 | — | — | |
| SCHEMBL27917737 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL22683754 | 0.74 | — | — | |
| SCHEMBL28240655 | 0.74 | — | — | |
| SCHEMBL1982133 | 0.74 | — | — | |
| SCHEMBL15456629 | 0.74 | — | — |
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-20100136660-A1 | METHODS FOR PRODUCING MEMBERS OF SPECIFIC BINDING PAIRS | MCCAFFERTY JOHN | 2010-06-03 | — | — | US | disclosed |