⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14080069 | 0.70 | — | — | |
| SCHEMBL4802205 | 0.65 | — | — | |
| SCHEMBL7912354 | 0.64 | PARP1 (0.32) | — | |
| SCHEMBL6991987 | 0.64 | CA1 (0.30) | — | |
| SCHEMBL6991998 | 0.63 | — | — | |
| SCHEMBL26205746 | 0.62 | — | — | |
| SCHEMBL1105722 | 0.62 | BRD4 (0.35) | — | |
| SCHEMBL21500439 | 0.62 | — | — | |
| SCHEMBL7387076 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL2994409 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0970050-B2 | PROCESS FOR THE PREPARATION OF 5,6-DIHYDRO-11H-DIBENZO A,D CYCLOHEPT-11-ENES | ROLABO SL (ES) | 2009-10-14 | — | — | EP | disclosed |
| US-7282587-B1 | Process for the preparation of 10,11-dihydro-5h-dibenzo[a,d]cyclohept-5-enes and derivatives thereof | ROBALO, S.L. (ES) | 2007-10-16 | — | — | US | disclosed |
| EP-0970050-B1 | PROCESS FOR THE PREPARATION OF 10,11-DIHYDRO-5H-DIBENZO A,D]CYCLOHEPT-5-ENES AND DERIVATIVES THEREOF | ROLABO SL (ES) | 2001-10-24 | — | — | EP | disclosed |
| US-6093827-A | REACTING A DIBENZOSUBERONE OR AN AZA DERIVATIVE THEREOF WITH AN ALIPHATIC KETONE IN THE PRESENCE OF LOW VALENT TITANIUM WHEREIN SAID LOW VALENT TITANIUM IS GENERATED BY ZINC | ROLABO S.L. (ES) | 2000-07-25 | — | — | US | disclosed |