⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL7064849 | 0.89 | ALOX15 (0.49) | — | |
| SCHEMBL7058449 | 0.86 | — | — | |
| SCHEMBL13560704 | 0.84 | MEN1 (0.47) | — | |
| SCHEMBL13560705 | 0.82 | MEN1 (0.50) | — | |
| SCHEMBL12569732 | 0.80 | ALDH1A1 (0.43) | — | |
| Guanidinoethyldisulfide SCHEMBL145590 | 0.79 | TSHR (0.69) | — | |
| Guanidinoethyldisulfide SCHEMBL1321518 | 0.77 | TSHR (0.67) | — | |
| SCHEMBL21232631 | 0.77 | DPP7 (0.50) | — | |
| SCHEMBL9697092 | 0.76 | — | — | |
| SCHEMBL15144990 | 0.75 | ALDH1A1 (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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1275594-C | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 2006-09-20 | — | — | CN | claimed |
| EP-0814792-B1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDRENS HOSP MEDICAL CENTER (US) | 2003-05-28 | — | — | EP | claimed |
| US-5985917-A | ANTITUMOR AGENTS AND ENZYME INHIBITORS | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-11-16 | — | — | US | claimed |
| US-5952385-A | Mercapto derivatives as inhibitors of nitric oxide synthase | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-09-14 | — | — | US | claimed |
| US-5929063-A | SELECTIVELY INHIBITS THE INDUCIBLE ISOFORM TO PREVENT OVER-INHIBITION; FOR DISORDERS WHERE THE ENZYME PLAYS A ROLE, E.G SYSTEMIC HYPOTENSION, SEPTIC SHOCK AND CYTOKINE THERAPY | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-07-27 | — | — | US | claimed |
| CN-1212620-A | Mercapto derivatives as inhibitors of cyclooxygenases | CHILDRENS HOSP MEDICAL CENTER (US) | 1999-03-31 | — | — | CN | claimed |
| CN-1181700-A | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 1998-05-13 | — | — | CN | claimed |
| EP-0814792-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1998-01-07 | — | — | EP | claimed |
| WO-1997045108-A1 | GUANIDINO DERIVATIVES AS INHIBITORS OF THE CYTOTOXIC EFFECT OF PEROXYNITRITE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-12-04 | — | — | WO | claimed |
| US-5674907-A | Mercapto derivatives as inhibitors of nitric oxide synthase | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-10-07 | — | — | US | claimed |
| WO-1997032575-A1 | MERCAPTO DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASES | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-09-12 | — | — | WO | claimed |
| WO-1996030007-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1996-10-03 | — | — | WO | claimed |
| US-11352325-B2 | Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals | WATERS TECHNOLOGIES CORPORATION (US) | 2022-06-07 | — | — | US | disclosed |
| US-11186583-B2 | 5-alkylthio-7-[(4-arylbenzyl)amino]-1(2)H-pyrazolo[4,3-d]pyrimidines for treatment of lymphoma | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2021-11-30 | — | — | US | disclosed |
| US-20200361943-A1 | 5-ALKYLTHIO-7-[(4-ARYLBENZYL)AMINO]-1(2)H-PYRAZOLO[4,3-D]PYRIMIDINES FOR TREATMENT OF LYMPHOMA | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2020-11-19 | — | — | US | disclosed |
| WO-2018129008-A1 | COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS | ENTASIS THERAPEUTICS INC. (US) | 2018-07-12 | — | — | WO | disclosed |
| US-5674907-A | Mercapto derivatives as inhibitors of nitric oxide synthase | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-10-07 | — | — | US | disclosed |
| WO-1997032575-A1 | MERCAPTO DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASES | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-09-12 | — | — | WO | disclosed |
| WO-1996030007-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1996-10-03 | — | — | WO | disclosed |
| US-4347310-A | INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-08-31 | — | — | US | disclosed |