⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82309 | 0.82 | — | — | |
| Benzene SCHEMBL27872529 | 0.78 | ALDH1A1 (0.46) | — | |
| Biphenyl SCHEMBL27458465 | 0.71 | NOTUM (0.44) | — | |
| SCHEMBL521745 | 0.67 | — | — | |
| SCHEMBL12473388 | 0.62 | MAPT (0.41) | — | |
| SCHEMBL14883533 | 0.62 | — | — | |
| SCHEMBL20870844 | 0.62 | TSHR (0.50) | — | |
| SCHEMBL8082741 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL105531 | 0.62 | — | — | |
| SCHEMBL2011066 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130018193-A1 | DEUTERATED PIRFENIDONE | CONCERT PHARMACEUTICALS INC. | 2013-01-17 | — | — | US | disclosed |
| US-20110313004-A1 | DEUTERATED PYRIDINONES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | US | disclosed |
| WO-2010065755-A1 | DEUTERATED PYRIDINONES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |
| US-20090131485-A1 | Deuterated pirfenidone | CONCERT PHARMACEUTICALS, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| US-20090131485-A1 | Deuterated pirfenidone | CONCERT PHARMACEUTICALS, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| WO-2009035598-A1 | DEUTERATED PIRFENIDONE | CONCERT PHARMACEUTICALS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |