Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13277608 | 0.92 | — | — | |
| Lithium Ion SCHEMBL11617500 | 0.82 | — | — | |
| SCHEMBL26494 | 0.52 | — | — | |
| SCHEMBL26371 | 0.52 | — | — | |
| Lithium Ion SCHEMBL11063038 | 0.44 | — | — | |
| SCHEMBL134032 | 0.35 | — | — | |
| SCHEMBL27646 | 0.35 | — | — | |
| Lithium Ion SCHEMBL28302580 | 0.33 | — | — | |
| Hydrochloric Acid SCHEMBL28983701 | 0.33 | — | — | |
| Lithium Ion SCHEMBL263443 | 0.33 | — | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944610-B1 | ASYMMETRIC SYNTHESIS OF BENZOXAZINONES | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2005-02-16 | — | — | EP | claimed |
| US-6555686-B2 | Contacting qinazolinone with cyclopropylacetylene | BRISTOL-MYERS SQUIBB PHARMA | 2003-04-29 | — | — | US | claimed |
| EP-1268447-A2 | ASYMMETRIC SYNTHESIS OF QUINAZOLIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-01-02 | — | — | EP | claimed |
| US-20020040138-A1 | 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-04 | — | — | US | claimed |
| US-20020035253-A1 | Asymmetric synthesis of quinazolin-2-ones useful as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-03-21 | — | — | US | claimed |
| US-20010044540-A1 | Asymmetric synthesis of quinazolin-2-ones useful as HIV reverse transcriptase inhibitors | DUPONT PHARMACEUTICALS COMPANY | 2001-11-22 | — | — | US | claimed |
| WO-2001070707-A2 | ASYMMETRIC SYNTHESIS OF QUINAZOLIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | WO | claimed |
| US-6140499-A | 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same | DUPONT PHARMACEUTICAL COMPANY (US) | 2000-10-31 | — | — | US | claimed |
| EP-0944610-A1 | ASYMMETRIC SYNTHESIS OF BENZOXAZINONES | Du Pont Pharmaceuticals Company (US) | 1999-09-29 | — | — | EP | claimed |
| EP-0929533-A1 | 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME | Du Pont Pharmaceuticals Company (US) | 1999-07-21 | — | — | EP | claimed |
| WO-1998027073-A1 | ASYMMETRIC SYNTHESIS OF BENZOXAZINONES | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-06-25 | — | — | WO | claimed |
| WO-1998014436-A1 | 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-04-09 | — | — | WO | claimed |
| EP-0944610-B1 | ASYMMETRIC SYNTHESIS OF BENZOXAZINONES | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2005-02-16 | — | — | EP | disclosed |
| EP-0981520-B1 | EFFICIENT ENANTIOSELECTIVE ADDITION REACTION USING AN ORGANOZINC REAGENT | MERCK & CO INC (US) | 2004-07-07 | — | — | EP | disclosed |
| EP-1359147-A1 | 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and processes for making the same | Bristol-Myers Squibb Pharma Company (US) | 2003-11-05 | — | — | EP | disclosed |
| US-6555686-B2 | Contacting qinazolinone with cyclopropylacetylene | BRISTOL-MYERS SQUIBB PHARMA | 2003-04-29 | — | — | US | disclosed |
| WO-1998045278-A1 | ASYMMETRIC SYNTHESIS OF BENZOXAZINONES VIA NEW INTERMEDIATES | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-15 | — | — | WO | disclosed |
| WO-1998027034-A1 | AN IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |
| WO-1998027073-A1 | ASYMMETRIC SYNTHESIS OF BENZOXAZINONES | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |
| WO-1998014436-A1 | 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-04-09 | — | — | WO | disclosed |