⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6242018 | 0.67 | — | — | |
| SCHEMBL20271920 | 0.61 | — | — | |
| SCHEMBL6925803 | 0.60 | — | — | |
| SCHEMBL30538597 | 0.59 | — | — | |
| SCHEMBL23829645 | 0.58 | — | — | |
| SCHEMBL3773138 | 0.58 | — | — | |
| SCHEMBL8692995 | 0.56 | — | — | |
| Benzene SCHEMBL27580567 | 0.56 | — | — | |
| SCHEMBL23833210 | 0.55 | — | — | |
| SCHEMBL19750859 | 0.54 | TSHR (0.35) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235792-A4 | PREPARATION OF [4S-(4ALPHA,7ALPHA,10ABETA)]-4-AMINO-OCTAHYDRO-5-OXO-7H-PYRIDO 2,1-B] 1,3]THIAZEPINE-7-CARBOXYLIC ACID, METHYL ESTER AND SALTS THEREOF VIA NOVEL DISULFIDES | BRISTOL MYERS SQUIBB CO (US) | 2003-06-25 | — | — | EP | claimed |
| EP-1235792-A1 | PREPARATION OF [4S-(4ALPHA,7ALPHA,10ABETA)]-4-AMINO-OCTAHYDRO-5-OXO-7H-PYRIDO 2,1-B] 1,3]THIAZEPINE-7-CARBOXYLIC ACID, METHYL ESTER AND SALTS THEREOF VIA NOVEL DISULFIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-09-04 | — | — | EP | claimed |
| EP-1051419-A4 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL MYERS SQUIBB CO (US) | 2002-08-28 | — | — | EP | claimed |
| WO-2002042258-A1 | PREPARATION OF [4S-(4α,7α,10Aβ)]-4-AMINO-OCTAHYDRO-5-OXO-7H-PYRIDO[2,1-B][1,3]THIAZEPINE-7-CARBOXYLIC ACID, METHYL ESTER AND SALTS THEREOF VIA NOVEL DISULFIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-05-30 | — | — | WO | claimed |
| EP-1051419-A1 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-15 | — | — | EP | claimed |
| WO-1999035145-A1 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-07-15 | — | — | WO | claimed |
| US-20230019129-A1 | HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2023-01-19 | — | — | US | disclosed |
| CN-113613724-A | Compounds useful in HIV therapy | 葛兰素史克知识产权开发有限公司 | 2021-11-05 | — | — | CN | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-10947224-B2 | Hepatitis B core protein allosteric modulators | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2021-03-16 | — | — | US | disclosed |
| EP-3607950-A2 | HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS | Indiana University Research & Technology Corporation (US) | 2020-02-12 | — | — | EP | disclosed |
| US-10183936-B2 | Hepatitis B core protein allosteric modulators | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2019-01-22 | — | — | US | disclosed |
| US-20180273521-A1 | HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS | Indiana University Research and Technology Corporationt (US) | 2018-09-27 | — | — | US | disclosed |
| EP-1051419-A1 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-2000057883-A1 | USE OF VASOPEPTIDASE INHIBITORS TO TREAT ANGINA PECTORIS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-05 | — | — | WO | disclosed |
| WO-2000003981-A2 | PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-01-27 | — | — | WO | disclosed |
| WO-1999035145-A1 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-07-15 | — | — | WO | disclosed |
| US-5756832-A | REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL | BRISTOL-MYERS SQUIBB CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5672599-A | DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB CO. (US) | 1997-09-30 | — | — | US | disclosed |
| US-5670699-A | Process for preparing amino acid esters useful as intermediates for compounds containing a fused bicyclic ring | BRISTOL-MYERS SQUIBB CO. (US) | 1997-09-23 | — | — | US | disclosed |