⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27924114 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL28290509 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL2777832 | 0.77 | MEN1 (0.52) | — | |
| SCHEMBL28176789 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL13735517 | 0.76 | — | — | |
| SCHEMBL22550040 | 0.75 | CA12 (0.50) | — | |
| SCHEMBL514695 | 0.74 | — | — | |
| SCHEMBL2777834 | 0.74 | MEN1 (0.45) | — | |
| SCHEMBL407505 | 0.74 | LMNA (0.37) | — | |
| SCHEMBL16965411 | 0.72 | MEN1 (0.48) | — |
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-20220133904-A1 | TRANSGLUTAMINASE CONJUGATION METHOD WITH A GLYCINE BASED LINKER | PAUL SCHERRER INSTITUT (CH) | 2022-05-05 | — | — | US | disclosed |
| US-20210128743-A1 | TRANSGLUTAMINASE CONJUGATION METHOD AND LINKER | PAUL SCHERRER INSTITUT (CH) | 2021-05-06 | — | — | US | disclosed |
| US-20170088878-A1 | METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES | ETH ZURICH (CH) | 2017-03-30 | — | — | US | disclosed |
| US-20170088878-A1 | METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES | ETH ZURICH (CH) | 2017-03-30 | — | — | US | disclosed |
| CN-105647270-A | Sorbic acid ester composition | 陶氏环球技术有限责任公司 | 2016-06-08 | — | — | CN | disclosed |
| WO-2015124443-A1 | METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES | ETH ZURICH (CH) | 2015-08-27 | — | — | WO | disclosed |