⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8897398 | 0.84 | — | — | |
| SCHEMBL8897394 | 0.82 | — | — | |
| SCHEMBL8897754 | 0.78 | — | — | |
| SCHEMBL8897323 | 0.78 | IRAK4 (0.32) | — | |
| SCHEMBL8898261 | 0.76 | — | — | |
| SCHEMBL8898273 | 0.76 | — | — | |
| SCHEMBL8896999 | 0.74 | — | — | |
| SCHEMBL8898048 | 0.73 | — | — | |
| SCHEMBL8897984 | 0.72 | — | — | |
| SCHEMBL8899717 | 0.72 | POLB (0.31) | — |
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-5627136-A | HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-06 | — | — | US | disclosed |