⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10460152 | 0.78 | — | — | |
| SCHEMBL28109507 | 0.78 | — | — | |
| SCHEMBL3168555 | 0.78 | QDPR (0.32) | — | |
| SCHEMBL1898647 | 0.75 | — | — | |
| SCHEMBL28166840 | 0.75 | PDE4B (0.32) | — | |
| SCHEMBL28344652 | 0.74 | — | — | |
| SCHEMBL28409288 | 0.74 | — | — | |
| SCHEMBL29163640 | 0.73 | NOTUM (0.39) | — | |
| SCHEMBL1028407 | 0.73 | NPC1 (0.32) | — | |
| SCHEMBL27781944 | 0.73 | SLC18A3 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5684195-A | SULFINIC ACID SALT INTERMEDIATE, OXIDATIVE AMINATION | G. D. SEARLE & CO. (US) | 1997-11-04 | — | — | US | claimed |
| US-5684195-A | SULFINIC ACID SALT INTERMEDIATE, OXIDATIVE AMINATION | G. D. SEARLE & CO. (US) | 1997-11-04 | — | — | US | disclosed |