⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9013055 | 1.00 | — | — | |
| SCHEMBL8416325 | 1.00 | — | — | |
| SCHEMBL28399720 | 0.81 | — | — | |
| SCHEMBL7611956 | 0.78 | — | — | |
| SCHEMBL16628461 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL8924200 | 0.78 | — | — | |
| SCHEMBL7264968 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL502747 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL185680 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL15010749 | 0.71 | ALDH1A1 (0.48) | — |
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-20240332628-A1 | Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds | ENEVATE CORP (US) | 2024-10-03 | — | — | US | claimed |
| EP-0743299-A1 | Process for the preparation of 2-fluorocyclopropylamine sulfonic acid salts and the chemical compound 2-fluorocyclopropylisocyanate | BAYER AG (DE) | 1996-11-20 | — | — | EP | claimed |
| US-20240332628-A1 | Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds | ENEVATE CORP (US) | 2024-10-03 | — | — | US | disclosed |
| US-11949072-B2 | Silicon-based energy storage devices with electrolyte containing cyanate based compounds | ENEVATE CORPORATION (US) | 2024-04-02 | — | — | US | disclosed |
| EP-0743299-A1 | Process for the preparation of 2-fluorocyclopropylamine sulfonic acid salts and the chemical compound 2-fluorocyclopropylisocyanate | BAYER AG (DE) | 1996-11-20 | — | — | EP | disclosed |