⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6568620 | 0.89 | CA1 (0.36) | — | |
| SCHEMBL6568607 | 0.82 | POLB (0.35) | — | |
| SCHEMBL4357522 | 0.80 | POLB (0.33) | — | |
| SCHEMBL6568663 | 0.74 | FAAH (0.39) | — | |
| SCHEMBL4346954 | 0.69 | KMT2A (0.40) | — | |
| SCHEMBL4355874 | 0.68 | POLB (0.37) | — | |
| SCHEMBL4357518 | 0.64 | POLB (0.47) | — | |
| SCHEMBL4346754 | 0.64 | POLB (0.50) | — | |
| SCHEMBL4345693 | 0.63 | POLB (0.37) | — | |
| SCHEMBL26310537 | 0.63 | POLB (0.43) | — |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |