⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11482037 | 0.79 | — | — | |
| SCHEMBL1026012 | 0.78 | — | — | |
| SCHEMBL11482026 | 0.77 | — | — | |
| SCHEMBL6966351 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10692352 | 0.72 | — | — | |
| SCHEMBL27388931 | 0.72 | — | — | |
| SCHEMBL3890037 | 0.72 | — | — | |
| SCHEMBL1781748 | 0.72 | — | — | |
| SCHEMBL11172387 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL4739928 | 0.65 | — | — |
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-4885322-A | IMPROVED DYNAMIC PROPERTIES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-12-05 | — | — | US | disclosed |
| US-4298731-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1981-11-03 | — | — | US | disclosed |