⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1137481 | 0.86 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5269910 | 0.83 | MEN1 (0.32) | — | |
| Bromide SCHEMBL28162642 | 0.83 | MEN1 (0.32) | — | |
| Water SCHEMBL31456290 | 0.83 | MEN1 (0.32) | — | |
| Iodide SCHEMBL28162072 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL10582934 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL12464312 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL14268023 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL21474566 | 0.77 | DPP4 (0.30) | — | |
| SCHEMBL5723748 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220389191-A1 | POLYMER COMPOSITION COMPRISING PHOSPHONATE FLAME RETARDANT | CHEMISCHE FABRIK BUDENHEIM KG (DE) | 2022-12-08 | — | — | US | disclosed |
| EP-0982293-A1 | Process for the preparation of imines and enamines, and possibly their further hydrogenation into amines | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-01 | — | — | EP | disclosed |