⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8927315 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL22884602 | 0.51 | — | — | |
| SCHEMBL16178868 | 0.45 | — | — | |
| SCHEMBL20553556 | 0.44 | ALDH1A1 (0.35) | — | |
| Dimethyl Sulfoxide SCHEMBL23243538 | 0.41 | MEN1 (0.46) | — | |
| Dimethyl Sulfoxide SCHEMBL28043357 | 0.41 | MEN1 (0.46) | — | |
| Dimethyl Sulfoxide SCHEMBL28340492 | 0.41 | MEN1 (0.46) | — | |
| Dimethyl Sulfoxide SCHEMBL5835774 | 0.41 | MEN1 (0.46) | — | |
| Dimethyl Sulfoxide SCHEMBL28338148 | 0.41 | MEN1 (0.46) | — | |
| SCHEMBL338007 | 0.41 | MEN1 (0.75) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4002761-A | ANTHELMINTIC AGENTS, FUNGICIDAL AGENTS | SMITHKLINE CORPORATION (US) | 1977-01-11 | — | — | US | disclosed |
| US-4000285-A | ANTHELMINTICS | SMITHKLINE CORPORATION (US) | 1976-12-28 | — | — | US | disclosed |
| US-3961063-A | ANTHELMINTICS | SMITHKLINE CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |