⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3615758 | 0.79 | — | — | |
| SCHEMBL2319727 | 0.79 | — | — | |
| SCHEMBL8814063 | 0.77 | — | — | |
| SCHEMBL2828605 | 0.77 | — | — | |
| SCHEMBL13311492 | 0.77 | — | — | |
| SCHEMBL24236652 | 0.77 | — | — | |
| SCHEMBL9131082 | 0.77 | TPI1 (0.43) | — | |
| SCHEMBL27621953 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL13251214 | 0.75 | KMT2A (0.47) | — | |
| SCHEMBL11406963 | 0.74 | FOLH1 (0.46) | — |
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-5076831-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |