⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9865790 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL9865783 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL365120 | 0.75 | — | — | |
| SCHEMBL9921701 | 0.75 | TSHR (0.60) | — | |
| SCHEMBL105390 | 0.75 | — | — | |
| SCHEMBL28205094 | 0.75 | TSHR (0.53) | — | |
| Hydrochloric Acid SCHEMBL11907969 | 0.73 | — | — | |
| SCHEMBL4851575 | 0.72 | — | — | |
| SCHEMBL23130685 | 0.71 | — | — | |
| SCHEMBL12061418 | 0.71 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240110173-A1 | GLUTAMATE DECARBOXYLASE MUTANT WITH IMPROVED PH TOLERANCE AND USE THEREOF IN SYNTHESIS OF GAMMA-AMINOBUTYRIC ACID | JIANGNAN UNIVERSITY (CN) | 2024-04-04 | — | — | US | disclosed |
| CN-113462678-B | Glutamic acid decarboxylase mutant | 上海邦林生物科技有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-113462678-A | Glutamic acid decarboxylase mutant | 上海邦林生物科技有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-110734904-A | method for producing glutamic acid decarboxylase and application thereof | 江南大学 | 2020-01-31 | — | — | CN | disclosed |
| US-20130142739-A1 | PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME | AURIGA INTERNATIONAL (BE) | 2013-06-06 | — | — | US | disclosed |
| EP-2595953-A1 | PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME | Auriga International (BE) | 2013-05-29 | — | — | EP | disclosed |
| CN-103025710-A | Process for the synthesis of isothiocyanates and derivatives thereof and uses of same | AURIGA INTERNAT | 2013-04-03 | — | — | CN | disclosed |
| WO-2012010644-A1 | PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME | AURIGA INTERNATIONAL (BE) | 2012-01-26 | — | — | WO | disclosed |
| US-7968553-B2 | e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-06-28 | — | — | US | disclosed |
| EP-1578748-B1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2010-09-15 | — | — | EP | disclosed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | disclosed |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2008-07-24 | — | — | US | disclosed |
| US-20060046985-A1 | Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2006-03-02 | — | — | US | disclosed |
| EP-1578748-A1 | TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004058757-A1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2004-07-15 | — | — | WO | disclosed |
| WO-2004058756-A1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2004-07-15 | — | — | WO | disclosed |
| EP-0007772-B1 | N-SUBSTITUTED BENZOTHIAZOLINES AND BENZOXAZOLINES AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULANTS | MONSANTO COMPANY (US) | 1983-09-07 | — | — | EP | disclosed |
| US-4336060-A | N-Substituted benzothiazolines and benzoxazolines and their use as herbicides and plant growth regulants | MONSANTO COMPANY (US) | 1982-06-22 | — | — | US | disclosed |
| US-4228292-A | N-Substituted benzothiazolines and benzoxazolines and their use as herbicides and plant growth regulants | MONSANTO COMPANY (US) | 1980-10-14 | — | — | US | disclosed |
| EP-0007772-A1 | N-substituted benzothiazolines and benzoxazolines and their use as herbicides and plant growth regulants | MONSANTO COMPANY (US) | 1980-02-06 | — | — | EP | disclosed |