⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4875592 | 0.95 | — | — | |
| SCHEMBL9420531 | 0.70 | — | — | |
| SCHEMBL16370098 | 0.67 | — | — | |
| Propene SCHEMBL10882461 | 0.60 | — | — | |
| Vinyl Chloride SCHEMBL11465597 | 0.60 | — | — | |
| Propene SCHEMBL7794432 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL3457882 | 0.57 | — | — | |
| SCHEMBL649877 | 0.56 | — | — | |
| SCHEMBL517992 | 0.53 | — | — | |
| SCHEMBL18029791 | 0.53 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348529-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN EV (DE) | 2023-11-02 | — | — | US | disclosed |
| US-11746124-B2 | Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2023-09-05 | — | — | US | disclosed |
| US-20220106356-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN EV (DE) | 2022-04-07 | — | — | US | disclosed |
| US-11161873-B2 | Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2021-11-02 | — | — | US | disclosed |
| US-20190330264-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) | 2019-10-31 | — | — | US | disclosed |
| EP-3506949-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | Forschungsverbund Berlin E.V. (DE) | 2019-07-10 | — | — | EP | disclosed |
| WO-2018041985-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2018-03-08 | — | — | WO | disclosed |