⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3424849 | 1.00 | — | — | |
| SCHEMBL3364946 | 1.00 | — | — | |
| SCHEMBL1500351 | 1.00 | — | — | |
| Water SCHEMBL27961223 | 0.91 | — | — | |
| SCHEMBL27723802 | 0.91 | — | — | |
| SCHEMBL8523368 | 0.91 | — | — | |
| Water SCHEMBL20742992 | 0.91 | — | — | |
| Silver SCHEMBL16268463 | 0.91 | — | — | |
| SCHEMBL63026 | 0.89 | — | — | |
| SCHEMBL16047646 | 0.89 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114824468-A | Multifunctional lithium battery additive containing fluorine and boron substances and application thereof | 中国科学院物理研究所 | 2022-07-29 | — | — | CN | claimed |
| CN-114824468-A | Multifunctional lithium battery additive containing fluorine and boron substances and application thereof | 中国科学院物理研究所 | 2022-07-29 | — | — | CN | disclosed |
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| EP-3129370-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2017-02-15 | — | — | EP | disclosed |
| WO-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |
| US-5565445-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS OR STAPHYLOCOCCUS EPIDERMIDIS AND METHICILLIN RESITANT COAGULASE NEGATIVE STAPHYLOCOCCI | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5541176-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS | MERCK & CO., INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5538964-A | ANTIBIOTICS FOR BACTERICIDES | MERCK & CO., INC. (US) | 1996-07-23 | — | — | US | disclosed |
| US-5498777-A | 3-thioheteroaryl cephalosporin compounds, compositions and methods of use | MERCK & CO., INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002548-A1 | 3-THIOHETEROARYL CEPHALOSPORIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-02-01 | — | — | WO | disclosed |