⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27499532 | 0.73 | — | — | |
| SCHEMBL27478170 | 0.71 | — | — | |
| SCHEMBL28182614 | 0.71 | — | — | |
| SCHEMBL29778183 | 0.71 | — | — | |
| SCHEMBL11497889 | 0.67 | — | — | |
| SCHEMBL4378842 | 0.67 | MAPT (0.30) | — | |
| SCHEMBL12201063 | 0.67 | — | — | |
| SCHEMBL7108389 | 0.59 | — | — | |
| SCHEMBL17255934 | 0.58 | — | — | |
| SCHEMBL13214267 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118955425-A | Phenol oxazine compound and application thereof | 首都医科大学附属北京胸科医院 | 2024-11-15 | — | — | CN | disclosed |
| WO-2011011865-A1 | ANTICANCER AGENTS BASED ON AMINO ACID DERIVATIVES | 3R VALO, S.E.C. (CA) | 2011-02-03 | — | — | WO | disclosed |
| US-4976742-A | LIGHTFASTNESS, WASHFASTNESS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1990-12-11 | — | — | US | disclosed |