⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17861575 | 1.00 | — | — | |
| SCHEMBL11624177 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30901896 | 0.98 | CA12 (0.39) | — | |
| SCHEMBL27603544 | 0.78 | — | — | |
| SCHEMBL6042511 | 0.75 | CA12 (0.38) | — | |
| SCHEMBL27619697 | 0.75 | CA12 (0.39) | — | |
| SCHEMBL12989432 | 0.74 | — | — | |
| SCHEMBL21865019 | 0.74 | — | — | |
| SCHEMBL3278057 | 0.74 | PDK1 (0.31) | — | |
| SCHEMBL28442431 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4303216-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Genfleet Therapeutics (Shanghai) Inc. (CN) | 2024-01-10 | — | — | EP | disclosed |
| CN-116981661-A | Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-10-31 | — | — | CN | disclosed |
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |