⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24230138 | 0.72 | — | — | |
| SCHEMBL1587225 | 0.69 | CYP2D6 (0.34) | — | |
| SCHEMBL24376136 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL10080377 | 0.63 | TDP1 (0.36) | — | |
| SCHEMBL25568220 | 0.63 | DPP4 (0.30) | — | |
| SCHEMBL23262548 | 0.62 | ACHE (0.34) | — | |
| SCHEMBL25568146 | 0.61 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL359147 | 0.61 | TDP1 (0.34) | — | |
| SCHEMBL24294536 | 0.61 | CARM1 (0.32) | — | |
| SCHEMBL23430441 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022025636-A1 | DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF | 주식회사 비보존 | 2022-02-03 | — | — | WO | disclosed |