⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188085 | 0.88 | — | — | |
| SCHEMBL49096 | 0.88 | ANPEP (0.33) | — | |
| Water SCHEMBL27934316 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL6549665 | 0.84 | ANPEP (0.32) | — | |
| SCHEMBL3169815 | 0.84 | ANPEP (0.32) | — | |
| SCHEMBL3890444 | 0.84 | ANPEP (0.32) | — | |
| SCHEMBL3893267 | 0.84 | ANPEP (0.32) | — | |
| SCHEMBL17036059 | 0.84 | ANPEP (0.32) | — | |
| SCHEMBL27596874 | 0.78 | — | — | |
| SCHEMBL48883 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410667-B1 | REACTION PRODUCT | 3M INNOVATIVE PROPERTIES COMPANY | 2002-06-25 | — | — | US | disclosed |