⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16440054 | 0.95 | — | — | |
| Alcohol SCHEMBL11173396 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL4935445 | 0.76 | — | — | |
| SCHEMBL11340906 | 0.76 | — | — | |
| SCHEMBL320287 | 0.73 | — | — | |
| SCHEMBL29440299 | 0.70 | — | — | |
| SCHEMBL1896527 | 0.70 | — | — | |
| SCHEMBL16055 | 0.67 | — | — | |
| Fluoride SCHEMBL22982459 | 0.67 | — | — | |
| SCHEMBL7724538 | 0.67 | — | — |
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-5130440-A | PROCESS FOR THE PRODUCTION OF 2-ALKYL- OR ALKENYL-2-OXAZOLINES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1992-07-14 | — | — | US | disclosed |