⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11753204 | 0.84 | TDP1 (0.39) | — | |
| SCHEMBL11566976 | 0.79 | POLB (0.35) | — | |
| SCHEMBL11564357 | 0.71 | PKM (0.43) | — | |
| SCHEMBL11565377 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL11562588 | 0.70 | KCNJ5 (0.36) | — | |
| SCHEMBL11568083 | 0.70 | NCF1 (0.36) | — | |
| SCHEMBL11563506 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL11590388 | 0.69 | NR1I2 (0.46) | — | |
| SCHEMBL11564515 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL11565707 | 0.69 | KCNJ5 (0.41) | — |
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-4062853-A | FUNGICIDE | THE DOW CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | claimed |
| US-4062853-A | FUNGICIDE | THE DOW CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | disclosed |