⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL38665874 | 0.82 | — | — | |
| Toluene SCHEMBL5374477 | 0.79 | — | — | |
| Toluene SCHEMBL3837745 | 0.79 | — | — | |
| Toluene SCHEMBL28236970 | 0.77 | — | — | |
| Toluene SCHEMBL1 | 0.72 | — | — | |
| Toluene SCHEMBL8938900 | 0.72 | ACHE (1.00) | — | |
| Toluene SCHEMBL175861 | 0.72 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.72 | ACHE (1.00) | — | |
| SCHEMBL12344964 | 0.72 | ACHE (1.00) | — | |
| Toluene SCHEMBL8433895 | 0.72 | ACHE (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117820368-B | Compound, synthesis method thereof and application of compound in synthesis method of actin stabilizer | 五邑大学 | 2025-04-15 | — | — | CN | disclosed |
| US-12179419-B2 | Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body | XOLO GMBH (DE) | 2024-12-31 | — | — | US | disclosed |
| CN-117355515-A | Piperazine derivatives and their use | 广州白云山医药集团股份有限公司白云山制药总厂 | 2024-01-05 | — | — | CN | disclosed |
| WO-2023145873-A1 | LYSOPHOSPHATIDYLSERINE ANALOGUE, AND LYSOPHOSPHATIDYLSERINE ANALOGUE-CONTAINING PHAMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING FIBROSIS | 国立大学法人東京大学 | 2023-08-03 | — | — | WO | disclosed |
| US-20220305723-A1 | Process and Apparatus for Locally Polymerizing a Starting Material by Dual Color Photopolymerization and Method for Volumetric Printing of a Shaped Body | XOLO GMBH (DE) | 2022-09-29 | — | — | US | disclosed |