⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5021693 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL464606 | 0.67 | — | — | |
| SCHEMBL20698420 | 0.64 | ADORA2A (0.39) | — | |
| SCHEMBL24702543 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL20698656 | 0.61 | ADORA2A (0.38) | — | |
| SCHEMBL20698663 | 0.61 | ADORA2A (0.38) | — | |
| SCHEMBL14380284 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL352077 | 0.60 | HSP90AA1 (0.39) | — | |
| SCHEMBL30358616 | 0.60 | HSP90AA1 (0.39) | — | |
| SCHEMBL138622 | 0.60 | ADORA2A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024026128-A2 | TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | ENSEM THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| WO-2018079862-A1 | MGLUR7 MODULATORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | WO | disclosed |