⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25006083 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL13537163 | 0.84 | — | — | |
| SCHEMBL17302230 | 0.81 | CYP1A2 (0.38) | — | |
| SCHEMBL6130368 | 0.81 | CYP1A2 (0.38) | — | |
| SCHEMBL135139 | 0.81 | CYP1A2 (0.38) | — | |
| SCHEMBL6130369 | 0.81 | CYP1A2 (0.38) | — | |
| SCHEMBL6130367 | 0.81 | CYP1A2 (0.38) | — | |
| SCHEMBL27687217 | 0.77 | — | — | |
| SCHEMBL14646594 | 0.76 | THRA (0.33) | — | |
| SCHEMBL16216046 | 0.76 | THRA (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014205223-A1 | PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS | MyoKardia, Inc. (US) | 2014-12-24 | — | — | WO | disclosed |
| US-20140242046-A1 | INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES | Childern's Medical Center Corporation (US) | 2014-08-28 | — | — | US | disclosed |
| EP-1558611-B1 | HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE | PFIZER (US) | 2010-01-06 | — | — | EP | disclosed |
| US-20080221154-A1 | HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE | PFIZER INC | 2008-09-11 | — | — | US | disclosed |
| US-7368571-B2 | HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use | PFIZER INC (US) | 2008-05-06 | — | — | US | disclosed |
| US-20070004768-A1 | HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. | 2007-01-04 | — | — | US | disclosed |
| US-7135482-B2 | HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use | AGOURON PHARMACEUTICALS, INC. (US) | 2006-11-14 | — | — | US | disclosed |
| EP-1558611-A2 | HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE | PFIZER INC. (US) | 2005-08-03 | — | — | EP | disclosed |
| US-20040147547-A1 | HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-07-29 | — | — | US | disclosed |
| WO-2004039803-A2 | HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE | PFIZER INC. (US) | 2004-05-13 | — | — | WO | disclosed |
| US-4180675-A | 15-Cycloalkyl-prostaglandin derivatives | WARNER-LAMBERT COMPANY (US) | 1979-12-25 | — | — | US | disclosed |