⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3621389 | 0.69 | — | — | |
| SCHEMBL1724327 | 0.67 | — | — | |
| SCHEMBL1087685 | 0.67 | — | — | |
| SCHEMBL28868217 | 0.67 | ALDH1A1 (0.79) | — | |
| SCHEMBL7230559 | 0.65 | — | — | |
| Methane SCHEMBL28175090 | 0.64 | — | — | |
| SCHEMBL27981862 | 0.64 | — | — | |
| SCHEMBL28150977 | 0.62 | — | — | |
| SCHEMBL1748178 | 0.62 | — | — | |
| SCHEMBL9791553 | 0.62 | ALDH1A1 (0.42) | — |
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-5885991-A | CONTACTING MICROBIAL HABITAT WITH 1,2,3-BENZATRIAZINE-4(3H)ONE DERIVATIVES AN ANTIMICROBIAL AGENT | THE DOW CHEMICAL COMPANY (US) | 1999-03-23 | — | — | US | disclosed |