⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30895433 | 0.69 | — | — | |
| SCHEMBL31337677 | 0.68 | — | — | |
| SCHEMBL15054991 | 0.66 | — | — | |
| SCHEMBL22031661 | 0.62 | — | — | |
| SCHEMBL21358285 | 0.60 | — | — | |
| Triethylene Glycol SCHEMBL6292167 | 0.60 | KMT2A (0.61) | — | |
| Triethylene Glycol SCHEMBL10582059 | 0.60 | KMT2A (0.61) | — | |
| Triethylene Glycol SCHEMBL989878 | 0.60 | KMT2A (0.61) | — | |
| Tetraethylene Glycol SCHEMBL1773960 | 0.60 | KMT2A (0.61) | — | |
| Triethylene Glycol SCHEMBL29262099 | 0.59 | MEN1 (0.69) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114502171-A | Crosslinking compounds and methods of use thereof | 北卡罗莱纳州立大学 | 2022-05-13 | — | — | CN | disclosed |