⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1408550 | 1.00 | — | — | |
| SCHEMBL5599033 | 1.00 | — | — | |
| SCHEMBL7208075 | 1.00 | — | — | |
| SCHEMBL5599027 | 1.00 | — | — | |
| SCHEMBL1155820 | 0.83 | FUCA1 (0.32) | — | |
| SCHEMBL105347 | 0.83 | FUCA1 (0.32) | — | |
| SCHEMBL11215384 | 0.78 | — | — | |
| SCHEMBL13573116 | 0.74 | — | — | |
| SCHEMBL12151513 | 0.74 | — | — | |
| SCHEMBL10385897 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1035096-B1 | ALPHA-CRYSTAL OF CYCLOPENTENONE | TAKARA BIO INC (JP) | 2003-10-22 | — | — | EP | disclosed |
| US-6350917-B1 | ANTICANCER AGENT | TAKARA SHUZO CO., LTD. (JP) | 2002-02-26 | — | — | US | disclosed |
| EP-1035096-A1 | ALPHA-CRYSTAL OF CYCLOPENTENONE | Takara Shuzo Co, Ltd. (JP) | 2000-09-13 | — | — | EP | disclosed |