⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633447 | 0.70 | — | — | |
| SCHEMBL3092802 | 0.59 | — | — | |
| SCHEMBL28941053 | 0.58 | MAOA (0.38) | — | |
| SCHEMBL2375717 | 0.56 | — | — | |
| SCHEMBL5104504 | 0.55 | — | — | |
| SCHEMBL16404036 | 0.55 | — | — | |
| SCHEMBL6702328 | 0.54 | — | — | |
| SCHEMBL6426044 | 0.54 | — | — | |
| SCHEMBL19346208 | 0.53 | — | — | |
| SCHEMBL14748808 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0224349-A1 | Chemically modified polyolefin | NESTE OY (FI) | 1987-06-03 | — | — | EP | claimed |
| US-20110112116-A1 | COMPOSITIONS OF 5-HT3 ANTAGONISTS AND DOPAMINE D2 ANTAGONISTS FOR TREATMENT OF DOPAMINE-ASSOCIATED CHRONIC CONDITIONS | SINGH NIKHILESH N | 2011-05-12 | — | — | US | disclosed |
| EP-2301493-A1 | Sustained analgesia achieved with buprenorphine | EURO-CELTIQUE S.A. (LU) | 2011-03-30 | — | — | EP | disclosed |
| EP-1458559-B1 | LABEL FILMS AND LABELING PROCESS | AVERY DENNISON CORP (US) | 2010-02-17 | — | — | EP | disclosed |