⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19297203 | 1.00 | — | — | |
| Sulfamic Acid Isopropyl Ester SCHEMBL284898 | 0.75 | — | — | |
| Sulfamic Acid Isopropyl Ester SCHEMBL2589333 | 0.73 | — | — | |
| Sulfamic Acid Isopropyl Ester SCHEMBL4593518 | 0.73 | — | — | |
| Sulfamic Acid Isopropyl Ester SCHEMBL4593008 | 0.73 | — | — | |
| SCHEMBL153104 | 0.71 | — | — | |
| SCHEMBL28823365 | 0.71 | — | — | |
| SCHEMBL22041477 | 0.71 | — | — | |
| SCHEMBL126514 | 0.69 | CA1 (0.74) | — | |
| Sulfamic Acid Isopropyl Ester SCHEMBL29067175 | 0.69 | CA1 (0.57) | — |
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-20190031681-A1 | 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-01-31 | — | — | US | disclosed |
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |