⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1399 | 0.94 | — | — | |
| Isobutane SCHEMBL27701505 | 0.60 | — | — | |
| SCHEMBL10696919 | 0.56 | — | — | |
| Isobutane SCHEMBL3111122 | 0.54 | — | — | |
| SCHEMBL28395445 | 0.54 | — | — | |
| SCHEMBL23116585 | 0.54 | — | — | |
| SCHEMBL3549627 | 0.54 | — | — | |
| SCHEMBL31277671 | 0.53 | — | — | |
| SCHEMBL3684134 | 0.50 | — | — | |
| SCHEMBL7659527 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108864011-B | Preparation method of antibacterial drug | 南方科技大学 | 2021-06-29 | — | — | CN | claimed |
| CN-108864125-B | Preparation method of antibacterial drug | 南方科技大学 | 2020-01-07 | — | — | CN | claimed |
| CN-108864011-B | Preparation method of antibacterial drug | 南方科技大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-108853078-B | Preparation method of antibacterial drug | 南方科技大学 | 2020-12-22 | — | — | CN | disclosed |
| CN-108864125-B | Preparation method of antibacterial drug | 南方科技大学 | 2020-01-07 | — | — | CN | disclosed |
| US-20100016250-A1 | TOLL-LIKE RECEPTOR 9 AGONISTS | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2017281-A1 | TOLL-LIKE RECEPTOR 9 AGONISTS | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-01-21 | — | — | EP | disclosed |
| US-7368578-B2 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20060135578-A1 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | US | disclosed |
| EP-1541564-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-0045884-A1 | 1,3,5,7-Tetradehydro steroids, their preparation and their use in the synthesis of 1-alpha-hydroxy-7 dehydro steroids | DIAMOND SHAMROCK CORPORATION (US) | 1982-02-17 | — | — | EP | disclosed |
| US-4287129-A | BY THE ENOL ACYLATION OF 1,4,6-TRIEN-3-ONE STEROIDS TO FORM 1,3,5,7, TETRAENS AS INTERMEDIATES | DIAMOND SHAMROCK CORP. (US) | 1981-09-01 | — | — | US | disclosed |