⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8898266 | 0.89 | KMT2A (0.30) | — | |
| SCHEMBL8898380 | 0.82 | — | — | |
| SCHEMBL8899721 | 0.81 | — | — | |
| SCHEMBL8898003 | 0.80 | — | — | |
| SCHEMBL8898265 | 0.76 | — | — | |
| SCHEMBL8899781 | 0.73 | — | — | |
| SCHEMBL8897714 | 0.73 | — | — | |
| SCHEMBL8898848 | 0.73 | — | — | |
| SCHEMBL8897392 | 0.71 | — | — | |
| SCHEMBL8897555 | 0.71 | PRSS1 (0.38) | — |
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 |