⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3703563 | 0.84 | — | — | |
| SCHEMBL27940949 | 0.81 | HMGCR (0.31) | — | |
| SCHEMBL27941046 | 0.79 | HMGCR (0.33) | — | |
| SCHEMBL27922324 | 0.78 | — | — | |
| SCHEMBL22487924 | 0.76 | CNR2 (0.31) | — | |
| SCHEMBL21718562 | 0.75 | CNR2 (0.33) | — | |
| SCHEMBL21706970 | 0.75 | HRH1 (0.31) | — | |
| SCHEMBL3695016 | 0.74 | L3MBTL1 (0.30) | — | |
| SCHEMBL27922418 | 0.74 | HMGCR (0.30) | — | |
| SCHEMBL28808781 | 0.74 | — | — |
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-20230043863-A1 | HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF | SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) | 2023-02-09 | — | — | US | disclosed |