⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11606575 | 0.84 | CYP1A2 (0.30) | — | |
| SCHEMBL11604368 | 0.79 | — | — | |
| SCHEMBL11606894 | 0.77 | — | — | |
| SCHEMBL9930180 | 0.75 | — | — | |
| SCHEMBL4360274 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL3795571 | 0.69 | — | — | |
| SCHEMBL13241897 | 0.69 | — | — | |
| SCHEMBL196659 | 0.68 | L3MBTL1 (0.39) | — | |
| SCHEMBL133648 | 0.65 | CYP2D6 (0.36) | — | |
| SCHEMBL11733287 | 0.65 | — | — |
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-4084054-A | BACTERICIDES, FUNGICIDES | IMC CHEMICAL GROUP, INC. (US) | 1978-04-11 | — | — | US | disclosed |