⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9469935 | 0.84 | TLR8 (0.47) | — | |
| SCHEMBL11314210 | 0.82 | — | — | |
| SCHEMBL2935295 | 0.76 | — | — | |
| SCHEMBL29067880 | 0.74 | — | — | |
| SCHEMBL21212491 | 0.74 | — | — | |
| SCHEMBL11845645 | 0.74 | — | — | |
| SCHEMBL16488105 | 0.74 | GABRA1 (0.35) | — | |
| SCHEMBL15942755 | 0.72 | GABRA1 (0.34) | — | |
| SCHEMBL12764489 | 0.72 | ADORA2A (0.36) | — | |
| SCHEMBL19219033 | 0.71 | ADORA2A (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117043140-A | Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances | 拜耳公司 | 2023-11-10 | — | — | CN | claimed |
| CN-117043140-A | Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances | 拜耳公司 | 2023-11-10 | — | — | CN | disclosed |
| US-4282008-A | METHANOL AND/OR ETHANOL; REACTION PRODUCT OF ISATOIC ANHYDRIDE, AMINOTRIAZOLE, POLY-PRIMARY AMINE; CORROSION RESISTANCE | TEXACO INC. (US) | 1981-08-04 | — | — | US | disclosed |