⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11329307 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL97701 | 0.69 | — | — | |
| SCHEMBL11642205 | 0.67 | TSHR (0.48) | — | |
| SCHEMBL11642959 | 0.67 | CTSA (0.43) | — | |
| SCHEMBL4226333 | 0.67 | — | — | |
| SCHEMBL1359029 | 0.63 | — | — | |
| SCHEMBL8957058 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL3637663 | 0.63 | — | — | |
| SCHEMBL11348665 | 0.61 | — | — | |
| SCHEMBL8759243 | 0.60 | — | — |
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-4113939-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |