⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2229616 | 0.98 | — | — | |
| SCHEMBL1401476 | 0.84 | TSHR (0.45) | — | |
| SCHEMBL4808478 | 0.79 | — | — | |
| SCHEMBL1361646 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL3804877 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL13479776 | 0.78 | CTSD (0.52) | — | |
| SCHEMBL9839492 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL1970547 | 0.77 | — | — | |
| SCHEMBL4937307 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9331467 | 0.77 | — | — |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110845356-A | Synthesis method of hydrazino ethyl acetate hydrochloride | 苏州永健生物医药有限公司 | 2020-02-28 | — | — | CN | claimed |
| CN-110698533-A | Ursolic acid indoquinone derivative and preparation method and application thereof | 南京林业大学 | 2020-01-17 | — | — | CN | claimed |
| CN-105601565-B | A kind of preparation method of the polyisocyanates of the biuret-containing structure of stable storage | 万华化学集团股份有限公司 | 2018-05-15 | — | — | CN | claimed |
| CN-105601565-A | Method for preparing polyisocyanate containing biuret structure with stable storage | WANHUA CHEMICAL GROUP CO LTD | 2016-05-25 | — | — | CN | claimed |
| CN-102633580-B | A kind of High-temperature acceleratingly-hardeemulsion emulsion explosive and preparation method thereof | Anhui Jiangnan Chemical Industry Co., Ltd. Ningguo branch office (CN) | 2015-08-12 | — | — | CN | claimed |
| CN-104744633-A | Random copolymer and coated film preparation and application method thereof | BEIJING INST GRAPHIC COMM | 2015-07-01 | — | — | CN | claimed |
| CN-102633580-A | High-temperature acceleratingly-hardened emulsion explosive and preparation method for same | NINGGUO BRANCH OF ANHUI JIANGNAN CHEMICAL INDUSTRY CO LTD | 2012-08-15 | — | — | CN | claimed |
| CN-114478410-B | Disubstituted phenyl-1, 2, 4-triazole derivative, and preparation and application thereof | 中山大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-115322209-A | Tricyclic compounds as DNA-PK inhibitors | 湖北理工学院 | 2022-11-11 | — | — | CN | disclosed |
| CN-114478410-A | Disubstituted phenyl-1, 2, 4-triazole derivative and preparation and application thereof | 中山大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-110845356-B | Synthesis method of hydrazino ethyl acetate hydrochloride | 苏州永健生物医药有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-110845356-B | Synthesis method of hydrazino ethyl acetate hydrochloride | 苏州永健生物医药有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-110698533-B | Ursolic acid indoquinone derivative and preparation method and application thereof | 南京林业大学 | 2021-10-12 | — | — | CN | disclosed |
| CN-102080244-A | Preparation method of silicon-based dielectric film | INST ELECTRICAL ENG CAS | 2011-06-01 | — | — | CN | disclosed |
| US-7582753-B2 | Process for the preparation of benzotriazepine derivatives | JANSSENPHARMACEUTICA, NV (BE) | 2009-09-01 | — | — | US | disclosed |
| US-20090023740-A1 | SODIUM CHANNEL INHIBITORS | ICAGEN (US) | 2009-01-22 | — | — | US | disclosed |
| CN-101304982-A | Process for the preparation of benzotriazepine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2008-11-12 | — | — | CN | disclosed |
| EP-1948624-A2 | PROCESS FOR THE PREPARATION OF BENZO[E][1,2,4]TRIAZEPIN-2-ONE DERIVATIVES | Janssen Pharmaceutica, N.V. (BE) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007035430-A2 | PROCESS FOR THE PREPARATION OF BENZO [E] [1,2,4] TRIAZEPIN-2-ONE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-29 | — | — | WO | disclosed |
| US-20070066819-A1 | PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES | JANSSEN PHARMACUETICA N.V., (BE) | 2007-03-22 | — | — | US | disclosed |