⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6697248 | 0.86 | ALDH1A1 (0.56) | — | |
| SCHEMBL28309544 | 0.86 | ALDH1A1 (0.56) | — | |
| SCHEMBL5865827 | 0.86 | ALDH1A1 (0.56) | — | |
| SCHEMBL29427832 | 0.86 | ALDH1A1 (0.56) | — | |
| SCHEMBL64593 | 0.85 | ALDH1A1 (0.68) | — | |
| SCHEMBL12142843 | 0.84 | — | — | |
| SCHEMBL6701878 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL10530192 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL7144641 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL29446779 | 0.82 | ALDH1A1 (0.65) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539167-B | Process for producing alkynyl ketone derivative | 盐野义制药株式会社 | 2024-12-17 | — | — | CN | disclosed |
| CN-114539167-A | Process for producing alkynyl ketone derivative | 盐野义制药株式会社 | 2022-05-27 | — | — | CN | disclosed |
| CN-110872472-A | Slurry composition, method of preparing the same, and method of manufacturing semiconductor device using the same | 三星电子株式会社 | 2020-03-10 | — | — | CN | disclosed |
| US-9951051-B2 | Process for producing alkynylketone derivative | SHIONOGI & CO., LTD. (JP) | 2018-04-24 | — | — | US | disclosed |
| US-20170197943-A1 | PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-13 | — | — | US | disclosed |
| US-20170197986-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | MEDSHINE DISCOVERY INC. (CN) | 2017-07-13 | — | — | US | disclosed |
| EP-3150573-A1 | METHOD FOR PRODUCING ALKYNYL KETONE DERIVATIVE | Shionogi & Co., Ltd. (JP) | 2017-04-05 | — | — | EP | disclosed |
| EP-3150600-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | Medshine Discovery Inc. (CN) | 2017-04-05 | — | — | EP | disclosed |
| US-8859802-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX, INC. (US) | 2014-10-14 | — | — | US | disclosed |
| US-8846876-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | Abrx, Inc. (US) | 2014-09-30 | — | — | US | disclosed |
| US-7928163-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX, INC. (US) | 2011-04-19 | — | — | US | disclosed |
| US-7696312-B2 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| US-20090143414-A1 | Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity | SHIONOGI & CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| US-20080268519-A1 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC. (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080268518-A1 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC. (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080182969-A1 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC. (US) | 2008-07-31 | — | — | US | disclosed |
| US-20080182968-A1 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC. (US) | 2008-07-31 | — | — | US | disclosed |
| US-20080177038-A1 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC (US) | 2008-07-24 | — | — | US | disclosed |
| US-20080177027-A1 | Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses | AMBRX, INC. (US) | 2008-07-24 | — | — | US | disclosed |
| EP-1854789-A1 | QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2007-11-14 | — | — | EP | disclosed |