⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130874 | 0.80 | — | — | |
| SCHEMBL17136129 | 0.76 | FYN (0.46) | — | |
| SCHEMBL12289317 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL12005962 | 0.73 | — | — | |
| SCHEMBL16944230 | 0.73 | ADRB1 (0.32) | — | |
| SCHEMBL9150332 | 0.73 | — | — | |
| SCHEMBL131722 | 0.71 | SLC1A3 (0.32) | — | |
| SCHEMBL12056418 | 0.71 | PRMT5 (0.34) | — | |
| SCHEMBL8977001 | 0.71 | — | — | |
| SCHEMBL12687468 | 0.71 | SPHK2 (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 |
|---|---|---|---|---|---|---|---|
| US-4775762-A | INSECTICIDES | THE DOW CHEMICAL COMPANY (US) | 1988-10-04 | — | — | US | disclosed |