⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27759438 | 0.97 | — | — | |
| SCHEMBL9345518 | 0.78 | — | — | |
| SCHEMBL9345523 | 0.73 | — | — | |
| SCHEMBL524105 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL12888773 | 0.67 | — | — | |
| SCHEMBL2656434 | 0.67 | — | — | |
| SCHEMBL258425 | 0.63 | — | — | |
| Cyanide SCHEMBL15194597 | 0.62 | — | — | |
| SCHEMBL4442942 | 0.62 | — | — | |
| SCHEMBL6919 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110494438-B | Method for preparing butyl methylphosphinate | 安道麦阿甘有限公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-116444560-A | Method for preparing butyl methylphosphinate | 安道麦阿甘有限公司 | 2023-07-18 | — | — | CN | disclosed |
| EP-2226060-B1 | CEMENT FOR DENTAL APPLICATIONS | KURARAY NORITAKE DENTAL INC (JP) | 2020-03-04 | — | — | EP | disclosed |
| US-8552088-B2 | Cement for dental applications | KURARAY NORITAKE DENTAL INC. (JP) | 2013-10-08 | — | — | US | disclosed |
| US-20100267856-A1 | CEMENT FOR DENTAL APPLICATIONS | KURARAY MEDICAL INC. (JP) | 2010-10-21 | — | — | US | disclosed |
| EP-2226060-A1 | CEMENT FOR DENTAL APPLICATIONS | Kuraray Medical Inc. (JP) | 2010-09-08 | — | — | EP | disclosed |