⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9816179 | 0.72 | DAO (0.41) | — | |
| SCHEMBL9816178 | 0.71 | — | — | |
| SCHEMBL5957228 | 0.69 | PLAU (0.48) | — | |
| Hydrochloric Acid SCHEMBL5957177 | 0.67 | PLAU (0.47) | — | |
| SCHEMBL9703287 | 0.67 | CA1 (0.46) | — | |
| SCHEMBL21427036 | 0.66 | CES2 (0.46) | — | |
| SCHEMBL9703267 | 0.66 | CA12 (0.44) | — | |
| SCHEMBL9691109 | 0.65 | NPC1 (0.42) | — | |
| SCHEMBL9701649 | 0.64 | CTSD (0.49) | — | |
| SCHEMBL5157282 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0279063-B1 | ALLENYL AMINES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-09 | — | — | EP | disclosed |