⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3926937 | 0.93 | TBXAS1 (0.75) | — | |
| SCHEMBL27785977 | 0.91 | TBXAS1 (0.79) | — | |
| SCHEMBL28252403 | 0.91 | TBXAS1 (0.79) | — | |
| Hydrochloric Acid SCHEMBL25366753 | 0.91 | TBXAS1 (0.72) | — | |
| SCHEMBL28253178 | 0.91 | TBXAS1 (0.79) | — | |
| SCHEMBL23803072 | 0.91 | TBXAS1 (0.79) | — | |
| SCHEMBL27748530 | 0.91 | TBXAS1 (0.72) | — | |
| SCHEMBL647237 | 0.86 | — | — | |
| SCHEMBL937596 | 0.85 | TBXAS1 (0.95) | — | |
| SCHEMBL9777196 | 0.85 | TBXAS1 (0.85) | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109433270-B | Catalyst for preparing isooctanoic acid by oxidizing isooctaldehyde, preparation method thereof and method for preparing isooctanoic acid | 万华化学集团股份有限公司 | 2021-05-14 | — | — | CN | claimed |
| CN-112174938-A | 4-indole-2-aminopyrimidine compounds and application thereof | 浙江工业大学 | 2021-01-05 | — | — | CN | claimed |
| CN-109999769-A | A kind of preparation method of the functional solid phase carrier for efficient separating Tryptophan enantiomer | 常州大学 | 2019-07-12 | — | — | CN | claimed |
| CN-109433270-A | A kind of different octanal oxidation prepares catalyst of isooctyl acid and preparation method thereof, and the method for preparing isooctyl acid | 万华化学集团股份有限公司 | 2019-03-08 | — | — | CN | claimed |
| CN-104693198-B | 3 (1,2,4 triazoles simultaneously [4,3 a] 3 base of pyridine) 4 (3 base of 1H indoles) maleimide analog derivative and its preparation method and application | 浙江工业大学 | 2017-03-08 | — | — | CN | claimed |
| CN-104693198-A | 3-(1,2,4-triazolo(4,3-a)pyridine-3-yl)-4-(1H-indole-3-yl)maleimide derivative and preparation method and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2015-06-10 | — | — | CN | claimed |
| US-20210284805-A1 | DESIGN OF LIGAND ATTACHMENT CHEMISTRY FOR HIGH CONDUCTIVITY POLYMER ELECTROLYTES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-09-16 | — | — | US | disclosed |
| CN-109433270-B | Catalyst for preparing isooctanoic acid by oxidizing isooctaldehyde, preparation method thereof and method for preparing isooctanoic acid | 万华化学集团股份有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-109535158-B | Bisaryl maleimide compound and pharmaceutically acceptable salt thereof, and preparation method and application thereof | 浙江工业大学 | 2021-04-23 | — | — | CN | disclosed |
| CN-112174938-A | 4-indole-2-aminopyrimidine compounds and application thereof | 浙江工业大学 | 2021-01-05 | — | — | CN | disclosed |
| CN-109999769-A | A kind of preparation method of the functional solid phase carrier for efficient separating Tryptophan enantiomer | 常州大学 | 2019-07-12 | — | — | CN | disclosed |
| US-20190210986-A1 | CYCLIC PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-07-11 | — | — | US | disclosed |
| CN-109535158-A | A kind of double arylmaleimides compounds and its pharmaceutically acceptable salt and its preparation method and application | 浙江工业大学 | 2019-03-29 | — | — | CN | disclosed |
| US-5770599-A | RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) | ZENECA LIMITED (GB) | 1998-06-23 | — | — | US | disclosed |
| CN-1182421-A | Quinazoline derivatives | ZENECA LTD (GB) | 1998-05-20 | — | — | CN | disclosed |
| EP-0823900-A1 | QUINAZOLINE DERIVATIVES | ZENECA LIMITED (GB) | 1998-02-18 | — | — | EP | disclosed |
| WO-1996033980-A1 | QUINAZOLINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-10-31 | — | — | WO | disclosed |
| EP-0393574-B1 | Hexitol derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-01-31 | — | — | EP | disclosed |
| US-5053408-A | Cardiovascular disorders | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-10-01 | — | — | US | disclosed |
| EP-0393574-A2 | Hexitol derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-10-24 | — | — | EP | disclosed |