⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15834794 | 0.75 | — | — | |
| SCHEMBL108375 | 0.73 | — | — | |
| SCHEMBL27950788 | 0.73 | — | — | |
| 2,3-Pentanedione SCHEMBL1514922 | 0.72 | ALDH1A1 (0.53) | — | |
| 2,3-Pentanedione SCHEMBL8677138 | 0.72 | — | — | |
| SCHEMBL14196384 | 0.72 | ALDH1A1 (0.53) | — | |
| 2,3-Pentanedione SCHEMBL106990 | 0.72 | — | — | |
| SCHEMBL1473173 | 0.72 | — | — | |
| Propionic Acid SCHEMBL19716276 | 0.71 | FFAR3 (0.62) | — | |
| SCHEMBL28219111 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023163111-A1 | POLYETHER RESIN | 味の素株式会社 | 2023-08-31 | — | — | WO | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |
| US-9770515-B2 | Crosslinking of proteins and other entities via conjugates of α-haloacetophenones, benzyl halides, quinones, and their derivatives | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2017-09-26 | — | — | US | disclosed |
| US-20130165382-A1 | CROSSLINKING OF PROTEINS AND OTHER ENTITIES VIA CONJUGATES OF ALPHA-HALOACETOPHENONES, BENZYL HALIDES, QUINONES, AND THEIR DERIVATIVES | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2013-06-27 | — | — | US | disclosed |
| CN-101568534-A | Benzoylamino heterocyclic compounds for the treatment of GLK mediated diseases | ASTRAZENECA AB (SE) | 2009-10-28 | — | — | CN | disclosed |