⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10104241 | 0.81 | KMT2A (0.48) | — | |
| SCHEMBL4579342 | 0.79 | — | — | |
| SCHEMBL4579345 | 0.79 | — | — | |
| SCHEMBL14241665 | 0.79 | — | — | |
| SCHEMBL7649871 | 0.79 | ALDH1A1 (0.60) | — | |
| SCHEMBL18677214 | 0.77 | MAPT (0.37) | — | |
| SCHEMBL18704625 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL20671868 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL19069757 | 0.76 | CASP2 (0.50) | — | |
| SCHEMBL4858999 | 0.74 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |