⚠ 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 SCHEMBL31097152 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL9028760 | 0.91 | ALDH1A1 (0.56) | — | |
| SCHEMBL9030143 | 0.91 | ALDH1A1 (0.56) | — | |
| SCHEMBL9028752 | 0.91 | ALDH1A1 (0.56) | — | |
| SCHEMBL14107151 | 0.90 | PKM (0.52) | — | |
| SCHEMBL16374974 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL6654907 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL172975 | 0.88 | PKM (0.55) | — | |
| SCHEMBL8852042 | 0.84 | PKM (0.36) | — | |
| SCHEMBL15957079 | 0.84 | OPRL1 (0.38) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098730-A1 | COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL | 正大天晴药业集团股份有限公司 | 2023-06-08 | — | — | WO | disclosed |
| US-20170275278-A1 | Mammalian and Bacterial Nitric Oxide Synthase Inhibitors | NORTHWESTERN UNIVERSITY (US) | 2017-09-28 | — | — | US | disclosed |
| CN-105732401-A | (Amide amino alkane) Metal compound, method of manufacturing metal-containing thin film using said metal compound | 宇部兴产株式会社 | 2016-07-06 | — | — | CN | disclosed |
| US-20160122302-A1 | Mammalian and Bacterial Nitric Oxide Synthase Inhibitors | NORTHWESTERN UNIVERSITY | 2016-05-05 | — | — | US | disclosed |
| CN-105503618-A | (Amide amino alkane) metal compound, method of manufacturing metal-containing thin film using said metal compound | UBE INDUSTRIES | 2016-04-20 | — | — | CN | disclosed |
| EP-2636674-B1 | (AMIDE AMINO ALKANE) METAL COMPOUND AND METHOD OF PRODUCING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND | UBE INDUSTRIES (JP) | 2016-04-06 | — | — | EP | disclosed |
| US-8871304-B2 | (Amide amino alkane) metal compound, method of manufacturing metal-containing thin film using said metal compound | UBE INDUSTRIES, LTD. (JP) | 2014-10-28 | — | — | US | disclosed |
| CN-103492404-A | C-4' substituted macrolide derivatives | TAISHO PHARMACEUTICAL CO LTD | 2014-01-01 | — | — | CN | disclosed |
| US-20130273250-A1 | (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND | UBE INDUSTRIES, LTD (JP) | 2013-10-17 | — | — | US | disclosed |
| EP-2636674-A1 | (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND | Ube Industries, Ltd. (JP) | 2013-09-11 | — | — | EP | disclosed |
| EP-1667962-A1 | AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005028427-A1 | AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-31 | — | — | WO | disclosed |