⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22871786 | 0.90 | KDM4E (0.35) | — | |
| SCHEMBL28566925 | 0.81 | — | — | |
| SCHEMBL6700938 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL11695237 | 0.77 | — | — | |
| SCHEMBL6039526 | 0.74 | — | — | |
| Sarcosine SCHEMBL272983 | 0.74 | GLRA1 (0.56) | — | |
| SCHEMBL4683201 | 0.73 | — | — | |
| SCHEMBL11342492 | 0.73 | — | — | |
| SCHEMBL20662159 | 0.72 | LMNA (0.34) | — | |
| SCHEMBL7006520 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6989052-B1 | Phase change ink printing process | XEROX CORPORATION (US) | 2006-01-24 | — | — | US | claimed |
| EP-3347019-B1 | PSMA-TARGETED NIR DYES AND THEIR USES | ON TARGET LABORATORIES LLC (US) | 2021-01-13 | — | — | EP | disclosed |
| US-20080027038-A1 | N-Acylated lipophilic amino acid derivatives | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2008-01-31 | — | — | US | disclosed |
| US-20080027038-A1 | N-Acylated lipophilic amino acid derivatives | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2008-01-31 | — | — | US | disclosed |
| US-7279573-B2 | Amide derivatives | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2007-10-09 | — | — | US | disclosed |
| US-7279573-B2 | Amide derivatives | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2007-10-09 | — | — | US | disclosed |