⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7697882 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL7697883 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL7696495 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL7696492 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL7693544 | 0.69 | HTT (0.39) | — | |
| SCHEMBL7693540 | 0.69 | HTT (0.39) | — | |
| SCHEMBL8539673 | 0.67 | — | — | |
| SCHEMBL7741976 | 0.61 | MEN1 (0.36) | — | |
| SCHEMBL10528821 | 0.60 | TGFBR1 (0.33) | — | |
| SCHEMBL2915211 | 0.60 | MGAM (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6417388-B1 | REARRANGEMENT USING BASIC OR ISOMERIZATION CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-09 | — | — | US | disclosed |
| US-6344589-B1 | BIS/OXIMES FROM ACETOACETIC ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-05 | — | — | US | disclosed |