⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4370642 | 0.92 | — | — | |
| SCHEMBL27160351 | 0.89 | — | — | |
| SCHEMBL4358641 | 0.84 | — | — | |
| SCHEMBL12311052 | 0.81 | — | — | |
| SCHEMBL31395027 | 0.73 | — | — | |
| SCHEMBL8861822 | 0.71 | — | — | |
| SCHEMBL4454679 | 0.71 | — | — | |
| SCHEMBL1002630 | 0.71 | — | — | |
| SCHEMBL14299752 | 0.71 | — | — | |
| SCHEMBL4479231 | 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 |
|---|---|---|---|---|---|---|---|
| US-20240201196-A1 | NON-COVALENT HALOTAG LIGANDS | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) | 2024-06-20 | — | — | US | disclosed |
| EP-4330333-A2 | NON-COVALENT HALOTAG LIGANDS | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2024-03-06 | — | — | EP | disclosed |
| CN-101855209-A | Alkyl sulfone derivative | DAIICHI SANKYO CO LTD | 2010-10-06 | — | — | CN | disclosed |
| CN-101163675-A | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KOGYO KK (JP) | 2008-04-16 | — | — | CN | disclosed |
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |