⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12129109 | 0.90 | BRD4 (0.31) | — | |
| SCHEMBL12129115 | 0.81 | INMT (0.30) | — | |
| SCHEMBL1106520 | 0.76 | PIK3CD (0.36) | — | |
| SCHEMBL12129126 | 0.74 | PIK3CD (0.32) | — | |
| SCHEMBL12129113 | 0.70 | MAPT (0.31) | — | |
| SCHEMBL12129112 | 0.69 | INMT (0.33) | — | |
| SCHEMBL12129119 | 0.69 | INMT (0.33) | — | |
| SCHEMBL28424905 | 0.69 | PIK3CD (0.34) | — | |
| SCHEMBL12129116 | 0.68 | INMT (0.32) | — | |
| SCHEMBL12129102 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130178468-A1 | HIV INTEGRASE INHIBITORS | VACCA JOSEPH P (US) | 2013-07-11 | — | — | US | disclosed |
| US-8293731-B2 | HIV integrase inhibitors | Merck Sharp + Dohme Corp. (US) | 2012-10-23 | — | — | US | disclosed |
| US-20110275621-A1 | HIV INTEGRASE INHIBITORS | SCHERING CORPORATION | 2011-11-10 | — | — | US | disclosed |
| US-7968564-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-20100204201-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-08-12 | — | — | US | disclosed |
| US-7741315-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-06-22 | — | — | US | disclosed |
| US-20090054399-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | disclosed |