⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28970953 | 0.79 | CA2 (0.44) | — | |
| SCHEMBL3674350 | 0.79 | — | — | |
| SCHEMBL30954345 | 0.79 | — | — | |
| SCHEMBL16327418 | 0.78 | NOD1 (0.46) | — | |
| SCHEMBL8220987 | 0.77 | — | — | |
| SCHEMBL8220984 | 0.77 | — | — | |
| SCHEMBL25801206 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL14110644 | 0.72 | KDM4E (0.41) | — | |
| SCHEMBL112740 | 0.72 | KDM4E (0.41) | — | |
| SCHEMBL20919888 | 0.70 | — | — |
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-0769003-A1 | AMINO ACID-DERIVED DIAMINOPROPANOLS | Pharmeco Laboratories, Inc. (US) | 1997-04-23 | — | — | EP | disclosed |