⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3764758 | 0.87 | — | — | |
| SCHEMBL15658168 | 0.76 | LOXL2 (0.36) | — | |
| SCHEMBL29193016 | 0.75 | MGLL (0.36) | — | |
| SCHEMBL477882 | 0.74 | ADRB1 (0.36) | — | |
| SCHEMBL16012071 | 0.72 | RECQL (0.34) | — | |
| SCHEMBL2146734 | 0.72 | — | — | |
| SCHEMBL15201656 | 0.71 | TRPV4 (0.39) | — | |
| SCHEMBL21731250 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL1994016 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL16150302 | 0.69 | ADORA2A (0.43) | — |
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 1 patent. 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 |