⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17834090 | 0.78 | — | — | |
| SCHEMBL18256184 | 0.75 | OPRM1 (0.33) | — | |
| SCHEMBL18091507 | 0.73 | CYP4F2 (0.33) | — | |
| SCHEMBL17835218 | 0.73 | — | — | |
| SCHEMBL18091490 | 0.72 | — | — | |
| SCHEMBL23194411 | 0.71 | — | — | |
| SCHEMBL17818940 | 0.71 | SLC6A4 (0.31) | — | |
| SCHEMBL18091703 | 0.71 | — | — | |
| SCHEMBL13814776 | 0.71 | CETP (0.33) | — | |
| Hydrochloric Acid SCHEMBL17818921 | 0.70 | SLC6A4 (0.30) | — |
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-10392345-B2 | Crystal of salt of novel 3-azabicyclo[3.1.0]hexane derivative and pharmaceutical use thereof | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2019-08-27 | — | — | US | disclosed |
| US-20180148409-A1 | CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | UBE CORPORATION (JP) | 2018-05-31 | — | — | US | disclosed |
| US-20180148409-A1 | CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | UBE CORPORATION (JP) | 2018-05-31 | — | — | US | disclosed |
| EP-3299357-A1 | CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2018-03-28 | — | — | EP | disclosed |
| WO-2016186184-A1 | CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 株式会社 三和化学研究所 | 2016-11-24 | — | — | WO | disclosed |