⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9196280 | 0.81 | — | — | |
| SCHEMBL9467993 | 0.80 | — | — | |
| SCHEMBL9468676 | 0.67 | ALDH3A1 (0.31) | — | |
| SCHEMBL875297 | 0.66 | — | — | |
| SCHEMBL18399020 | 0.59 | — | — | |
| SCHEMBL29277144 | 0.58 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL2050240 | 0.58 | — | — | |
| SCHEMBL9194048 | 0.57 | CYP19A1 (0.30) | — | |
| SCHEMBL9321193 | 0.57 | ALDH3A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28226758 | 0.57 | — | — |
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-5216010-A | Bactericides; fungicides; algicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-06-01 | — | — | US | disclosed |