⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4780957 | 0.72 | — | — | |
| SCHEMBL31243778 | 0.69 | — | — | |
| Methane SCHEMBL11671627 | 0.69 | — | — | |
| SCHEMBL31476474 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL4946257 | 0.65 | — | — | |
| SCHEMBL314229 | 0.62 | — | — | |
| SCHEMBL31520567 | 0.61 | — | — | |
| SCHEMBL3384740 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL9147152 | 0.60 | — | — | |
| Bromide SCHEMBL9150469 | 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 |
|---|---|---|---|---|---|---|---|
| US-20250074876-A1 | DIPHENOLIC COMPOUNDS AND PREPARATION METHODS THEREOF | PURPANA (BEIJING) TECHNOLOGIES CO., LTD. (CN) | 2025-03-06 | — | — | US | disclosed |