⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8523785 | 0.76 | — | — | |
| SCHEMBL2373214 | 0.75 | — | — | |
| SCHEMBL16775264 | 0.72 | HDAC3 (0.48) | — | |
| Bromide SCHEMBL8587199 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3220913 | 0.72 | — | — | |
| SCHEMBL7060326 | 0.70 | MCL1 (0.48) | — | |
| SCHEMBL28207990 | 0.69 | OR51E2 (0.30) | — | |
| SCHEMBL10788626 | 0.69 | — | — | |
| Formic Acid SCHEMBL27517204 | 0.69 | CRBN (0.36) | — | |
| SCHEMBL7108066 | 0.68 | OR51E2 (0.33) | — |
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-0832898-A2 | Substituted amino acid derivatives | BAYER AG (DE) | 1998-04-01 | — | — | EP | disclosed |