⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7222025 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4895597 | 0.76 | — | — | |
| SCHEMBL19260901 | 0.70 | — | — | |
| SCHEMBL9989894 | 0.69 | — | — | |
| SCHEMBL6988994 | 0.69 | — | — | |
| SCHEMBL27940574 | 0.67 | — | — | |
| SCHEMBL30998382 | 0.67 | — | — | |
| SCHEMBL2271344 | 0.66 | — | — | |
| SCHEMBL4446244 | 0.64 | — | — | |
| SCHEMBL18585114 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3601255-A1 | PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL | AbbVie Deutschland GmbH & Co. KG (DE) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018175449-A1 | PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL | AbbVie Deutschland GmbH & Co. KG (DE) | 2018-09-27 | — | — | WO | disclosed |
| WO-2011008312-A2 | INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2011-01-20 | — | — | WO | disclosed |