⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1448413 | 0.92 | — | — | |
| SCHEMBL27545094 | 0.90 | ADH1C (0.48) | — | |
| SCHEMBL27426586 | 0.90 | ADH1C (0.48) | — | |
| SCHEMBL8414754 | 0.90 | ADH1C (0.48) | — | |
| SCHEMBL27990968 | 0.90 | ADH1C (0.48) | — | |
| SCHEMBL1449127 | 0.83 | — | — | |
| SCHEMBL6704525 | 0.72 | — | — | |
| SCHEMBL26772 | 0.72 | TSHR (0.41) | — | |
| Bromide SCHEMBL28362232 | 0.72 | — | — | |
| SCHEMBL19220259 | 0.72 | — | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104780761-A | Use of substituted 2, 3-dihydro-1-benzofuran-4-carboxylic acids or salts thereof as active substances against abiotic plant stress | BAYER CROPSCIENCE AG | 2015-07-15 | — | — | CN | claimed |
| CN-101711156-A | Chirally pure isomers of itraconazole and inhibitors of lanosterol 14A-demethylase for use as angiogenesis inhibitors | UNIV JOHNS HOPKINS | 2010-05-19 | — | — | CN | claimed |
| CN-117693500-A | Carboxamide derivative and agricultural/horticultural plant disease control agent | 组合化学工业株式会社 | 2024-03-12 | — | — | CN | disclosed |
| CN-109970669-A | A kind of preparation method of the midbody compound of Itraconazole | 上海医药工业研究院 | 2019-07-05 | — | — | CN | disclosed |
| CN-105814049-B | Fused tricyclic imdazole derivatives as TNF active regulator | UCB生物制药私人有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-105452398-B | Composition for ink, ink jet recording method and tingle body using this composition for ink | 日本化药株式会社 | 2018-07-10 | — | — | CN | disclosed |
| CN-105814049-A | Fused tricyclic imidazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-104936962-A | Therapeutically active oxazoline derivatives | UCB PHARMA SA | 2015-09-23 | — | — | CN | disclosed |
| CN-104780761-A | Use of substituted 2, 3-dihydro-1-benzofuran-4-carboxylic acids or salts thereof as active substances against abiotic plant stress | BAYER CROPSCIENCE AG | 2015-07-15 | — | — | CN | disclosed |
| CN-104619709-A | Imidazopyridine derivatives as modulators of TNF activity | UCB PHARMA SA | 2015-05-13 | — | — | CN | disclosed |
| CN-104470924-A | Imidazopyrazine derivatives as modulators of tnf activity | UCB PHARMA SA | 2015-03-25 | — | — | CN | disclosed |
| EP-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| CN-1274724-A | Preparation method of 8-cyclopentyl-6-ethyl-3- [ substituted ] -5, 8-dihydro-4H-1, 2,3A,7, 8-pentaaza-asymmetric indacene and intermediate thereof | PFIZER PRODUCTS CO (US) | 2000-11-29 | — | — | CN | disclosed |
| CN-1264384-A | Fused 1,2,4-thiadiazine derivatives, their preparation method and use | NOVO NORDISK AS (DK) | 2000-08-23 | — | — | CN | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |
| CN-1222910-A | 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof | NOVO NORDISK AS (DK) | 1999-07-14 | — | — | CN | disclosed |
| CN-1104412-A | Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients | OTSUKA PHARMA CO LTD (JP) | 1995-06-28 | — | — | CN | disclosed |
| US-4753925-A | Antibacterial 1,7-diamino-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1988-06-28 | — | — | US | disclosed |
| EP-0155587-B1 | 1,7-DIAMINO-1,4-DIHYDRO-4-OXO-3(AZA)QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING BACTERIAL DISEASES | BAYER AG (DE) | 1988-06-08 | — | — | EP | disclosed |
| EP-0155587-A1 | 1,7-Diamino-1,4-dihydro-4-oxo-3(aza)quinoline-carboxylic acids, process for their preparation and their use in treating bacterial diseases | BAYER AG (DE) | 1985-09-25 | — | — | EP | disclosed |