⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17026782 | 0.74 | KMT2A (0.37) | — | |
| SCHEMBL17027160 | 0.69 | AR (0.35) | — | |
| SCHEMBL9130257 | 0.65 | MEN1 (0.39) | — | |
| SCHEMBL17026871 | 0.63 | KMT2A (0.33) | — | |
| SCHEMBL17027187 | 0.63 | KDM4E (0.32) | — | |
| SCHEMBL17027145 | 0.61 | KMT2A (0.32) | — | |
| SCHEMBL30953777 | 0.60 | KDM4E (0.50) | — | |
| SCHEMBL3593417 | 0.60 | KDM4E (0.50) | — | |
| SCHEMBL18581100 | 0.59 | GABRB3 (0.32) | — | |
| SCHEMBL17027258 | 0.58 | NOTUM (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170066717-A1 | NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS | INVENTIVA (FR) | 2017-03-09 | — | — | US | disclosed |
| EP-3107910-A1 | NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS | INVENTIVA (FR) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015124868-A1 | NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS | INVENTIVA (FR) | 2015-08-27 | — | — | WO | disclosed |