⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4872080 | 0.79 | — | — | |
| SCHEMBL260747 | 0.75 | — | — | |
| Benzene SCHEMBL8022136 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL7037230 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL2344830 | 0.68 | — | — | |
| SCHEMBL976785 | 0.68 | — | — | |
| SCHEMBL15063882 | 0.68 | — | — | |
| SCHEMBL16719843 | 0.68 | ESR2 (0.41) | — | |
| SCHEMBL16720625 | 0.65 | HSD17B1 (0.45) | — | |
| SCHEMBL8982776 | 0.65 | TSHR (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109890793-B | Novel anthelmintic quinoline-3-carboxamide derivatives | 拜耳动物保健有限责任公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-114727992-A | Arylmethylene aromatic compounds as Kv1.3 potassium Shaker channel blockers | D·E·萧尔研究有限责任公司 | 2022-07-08 | — | — | CN | disclosed |
| EP-4003524-A1 | ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS | Bayer Animal Health GmbH (DE) | 2022-06-01 | — | — | EP | disclosed |
| CN-114423749-A | Isoquinoline derivatives and their use for the treatment of parasitic infections | 拜耳动物保健有限责任公司 | 2022-04-29 | — | — | CN | disclosed |
| EP-3538512-B1 | NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES | BAYER ANIMAL HEALTH GMBH (DE) | 2021-06-16 | — | — | EP | disclosed |
| US-20210115026-A1 | NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES | ELANCO ANIMAL HEALTH GMBH (DE) | 2021-04-22 | — | — | US | disclosed |
| WO-2021018839-A1 | ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS | BAYER ANIMAL HEALTH GMBH (DE) | 2021-02-04 | — | — | WO | disclosed |
| US-10889573-B2 | Anthelmintic quinoline-3-carboxamide derivatives | BAYER ANIMAL HEALTH GMBH (DE) | 2021-01-12 | — | — | US | disclosed |
| EP-3538512-A1 | NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES | Bayer Animal Health GmbH (DE) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018087036-A1 | NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES | BAYER ANIMAL HEALTH GMBH (DE) | 2018-05-17 | — | — | WO | disclosed |