⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2881362 | 0.81 | GRM4 (0.31) | — | |
| SCHEMBL2883919 | 0.78 | RHEB (0.31) | — | |
| SCHEMBL4556277 | 0.70 | KCNH2 (0.43) | — | |
| SCHEMBL2881365 | 0.70 | KCNH2 (0.47) | — | |
| SCHEMBL2880917 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL3033748 | 0.68 | EPAS1 (0.34) | — | |
| SCHEMBL2882436 | 0.68 | KCNH2 (0.40) | — | |
| SCHEMBL204111 | 0.67 | — | — | |
| SCHEMBL21313860 | 0.67 | HTR2A (0.31) | — | |
| SCHEMBL22965656 | 0.67 | AMY1A (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121638-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-25 | — | — | EP | disclosed |
| US-20100286192-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | ANTHONY NEVILLE J | 2010-11-11 | — | — | US | disclosed |
| US-7781454-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | US | disclosed |
| EP-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080275097-A1 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME LLC | 2008-11-06 | — | — | US | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |