⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2000341 | 0.86 | — | — | |
| SCHEMBL18543120 | 0.83 | KCNH2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL17361360 | 0.82 | — | — | |
| Tert-Butyl Formate SCHEMBL28814213 | 0.81 | TDP1 (0.41) | — | |
| SCHEMBL4505350 | 0.81 | — | — | |
| SCHEMBL3346700 | 0.80 | — | — | |
| SCHEMBL26129787 | 0.80 | — | — | |
| SCHEMBL348083 | 0.79 | — | — | |
| SCHEMBL16763155 | 0.78 | KCNH2 (0.35) | — | |
| Betazole SCHEMBL157155 | 0.76 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679414-A | Non-nucleoside reverse transcriptase inhibitors | HOFFMANN LA ROCHE | 2010-03-24 | — | — | CN | disclosed |
| EP-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| US-7476666-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-01-13 | — | — | US | disclosed |
| CN-101146540-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2008-03-19 | — | — | CN | disclosed |
| US-20080015187-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-17 | — | — | US | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2006051143-A8 | HETEROCYCLIC LIGANDS AND THE GADOLINIUM (III) COMPLEXES THEREOF WITH BIOMEDICAL APPLICATIONS | UNIV NAC DE EDUCACION A DISTAN (ES) | 2006-11-23 | — | — | WO | disclosed |
| WO-2006051142-A1 | 1-PYRAZOLYLETHYL-1,4,7,10-TETRAAZACYCLODODECANE-4,7,10-TRIACETIC ACIDS AND APPLICATION OF THE GADOLINIUM (III) COMPLEXES THEREOF IN CLINICAL DIAGNOSIS | UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA (U.N.E.D.) (ES) | 2006-05-18 | — | — | WO | disclosed |
| WO-2006051143-A1 | HETEROCYCLIC LIGANDS AND THE GADOLINIUM (III) COMPLEXES THEREOF WITH BIOMEDICAL APPLICATIONS | UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA (U.N.E.D.) (ES) | 2006-05-18 | — | — | WO | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-4154844-A | ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-15 | — | — | US | disclosed |
| US-4151288-A | ANTHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-04-24 | — | — | US | disclosed |
| US-4137234-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-01-30 | — | — | US | disclosed |
| US-4137237-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-01-30 | — | — | US | disclosed |
| US-4070475-A | THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1978-01-24 | — | — | US | disclosed |
| US-4024271-A | INHIBITORS OF HISTAMINE ACTIVITY | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-17 | — | — | US | disclosed |
| US-4022797-A | PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-10 | — | — | US | disclosed |
| US-4018931-A | INHIBITION OF H-2 HISTAMINE RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-04-19 | — | — | US | disclosed |
| US-3950353-A | HISTAMINE INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1976-04-13 | — | — | US | disclosed |
| US-3950333-A | HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1976-04-13 | — | — | US | disclosed |