⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6702602 | 0.76 | — | — | |
| SCHEMBL9853406 | 0.70 | — | — | |
| SCHEMBL11872520 | 0.68 | — | — | |
| SCHEMBL28738837 | 0.68 | — | — | |
| SCHEMBL75605 | 0.65 | — | — | |
| SCHEMBL7111142 | 0.65 | — | — | |
| SCHEMBL4232200 | 0.64 | — | — | |
| SCHEMBL658658 | 0.64 | — | — | |
| SCHEMBL8734988 | 0.64 | — | — | |
| SCHEMBL28713918 | 0.64 | — | — |
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-4179436-A | DYEING POLYESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-18 | — | — | US | disclosed |