⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12509883 | 1.00 | — | — | |
| SCHEMBL14104606 | 0.80 | — | — | |
| Bicarbonate SCHEMBL10872867 | 0.73 | POLB (0.38) | — | |
| SCHEMBL8405419 | 0.72 | — | — | |
| SCHEMBL1658466 | 0.72 | — | — | |
| SCHEMBL22136990 | 0.71 | — | — | |
| SCHEMBL13881345 | 0.71 | — | — | |
| SCHEMBL15013748 | 0.71 | — | — | |
| SCHEMBL15012490 | 0.71 | — | — | |
| SCHEMBL1441411 | 0.71 | POLB (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110583647-B | Microbicidal composition | 荷兰联合利华有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-110583647-A | Microbicidal composition | 荷兰联合利华有限公司 | 2019-12-20 | — | — | CN | disclosed |
| EP-1534680-B1 | PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE | PHARMACO INVESTMENTS INC (US) | 2012-02-22 | — | — | EP | disclosed |