⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10469553 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL19405559 | 0.73 | — | — | |
| SCHEMBL19405413 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL595666 | 0.72 | — | — | |
| SCHEMBL19405455 | 0.72 | SLC6A2 (0.30) | — | |
| SCHEMBL10447912 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL1325907 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL19405572 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL19405551 | 0.69 | CSNK1E (0.33) | — | |
| SCHEMBL14957560 | 0.69 | — | — |
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-4049693-A | BACTERICIDE, FUNGICIDE | THE DOW CHEMICAL COMPANY (US) | 1977-09-20 | — | — | US | disclosed |