⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12348439 | 0.56 | — | — | |
| SCHEMBL3376425 | 0.52 | — | — | |
| SCHEMBL11802553 | 0.46 | HRH4 (0.34) | — | |
| SCHEMBL12890926 | 0.44 | CYP1A2 (0.31) | — | |
| SCHEMBL12922239 | 0.44 | ALDH1A1 (0.31) | — | |
| SCHEMBL170393 | 0.44 | — | — | |
| SCHEMBL3901462 | 0.43 | TSHR (0.31) | — | |
| SCHEMBL7528242 | 0.43 | — | — | |
| SCHEMBL2308676 | 0.43 | ALDH1A1 (0.30) | — | |
| SCHEMBL4352 | 0.40 | — | — |
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-4732989-A | INTERMEDIATES FOR BACTERICIDES | G. D. SEARLE & CO. (US) | 1988-03-22 | — | — | US | disclosed |
| US-4661602-A | ANTIANAEROBIC AGENTS | G. D. SEARLE & CO. (US) | 1987-04-28 | — | — | US | disclosed |