⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38009 | 0.98 | — | — | |
| SCHEMBL27842381 | 0.91 | — | — | |
| Methylene Chloride SCHEMBL27497108 | 0.90 | — | — | |
| Alcohol SCHEMBL28946691 | 0.88 | — | — | |
| SCHEMBL5227809 | 0.88 | — | — | |
| Ether SCHEMBL20704371 | 0.86 | — | — | |
| SCHEMBL28167299 | 0.85 | HTR1A (0.31) | — | |
| SCHEMBL5960796 | 0.84 | — | — | |
| SCHEMBL20337341 | 0.81 | — | — | |
| SCHEMBL22463075 | 0.79 | HSD11B1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571870-B1 | Cyclopentane- and -pentene-beta-amino-acids | BAYER AG (DE) | 1998-08-19 | — | — | EP | disclosed |
| EP-0571870-A1 | Cyclopentane- and -pentene-beta-amino-acids | BAYER AG (DE) | 1993-12-01 | — | — | EP | disclosed |