⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4541828 | 0.73 | KMT2A (0.44) | — | |
| SCHEMBL8163466 | 0.72 | — | — | |
| SCHEMBL7513087 | 0.71 | KMT2A (0.36) | — | |
| SCHEMBL19751318 | 0.66 | KMT2A (0.34) | — | |
| SCHEMBL9862131 | 0.66 | MAPT (0.31) | — | |
| SCHEMBL10339323 | 0.66 | — | — | |
| SCHEMBL11871665 | 0.65 | NPSR1 (0.45) | — | |
| SCHEMBL11869568 | 0.65 | HSD11B1 (0.33) | — | |
| SCHEMBL11857610 | 0.64 | HSD17B10 (0.41) | — | |
| SCHEMBL9862127 | 0.63 | — | — |
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-6512111-B1 | A method for preparing compounds of formula (I) ) wherein cyclization is carried out in a basic medium and in the presence of a phosphonic acid derivative and the use of said method as an intermediate step for preparing a compound | AVENTIS PHARMA S.A. (FR) | 2003-01-28 | — | — | US | disclosed |