⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9845033 | 0.83 | HCAR2 (0.57) | — | |
| Diethyl Maleate SCHEMBL43033 | 0.78 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL27966383 | 0.78 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL2015896 | 0.78 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL42602 | 0.78 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL60423 | 0.78 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL2015895 | 0.78 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL138683 | 0.76 | HCAR2 (0.76) | — | |
| Diethyl Maleate SCHEMBL8935022 | 0.76 | HCAR2 (0.76) | — | |
| Diethyl Maleate SCHEMBL4942417 | 0.76 | HCAR2 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410267-B2 | Regioselective reduction of fused pyrrolocarbazoles-5,7-diones | TEVA SANTE (FR) | 2013-04-02 | — | — | US | disclosed |
| US-8383813-B2 | Fused pyrrolocarbazoles | CEPHALON, INC. (US) | 2013-02-26 | — | — | US | disclosed |
| US-20120004253-A1 | Novel Fused Pyrrolocarbazoles | CEPHALON, INC. (US) | 2012-01-05 | — | — | US | disclosed |
| US-8044064-B2 | Fused pyrrolocarbazoles | CEPHALON, INC. (US) | 2011-10-25 | — | — | US | disclosed |
| US-20110224436-A1 | REGIOSELECTIVE REDUCTION OF FUSED PYRROLOCARBAZOLES-5,7-DIONES | CEPHALON FRANCE (FR) | 2011-09-15 | — | — | US | disclosed |
| US-20100152196-A1 | Novel Fused Pyrrolocarbazoles | CEPHALON, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| US-7514440-B2 | Fused pyrrolocarbazoles | CEPHALON, INC. (US) | 2009-04-07 | — | — | US | disclosed |
| US-20070203135-A1 | Novel Fused Pyrrolocarbazoles | CEPHALON, INC. (US) | 2007-08-30 | — | — | US | disclosed |