⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5567653 | 0.71 | — | — | |
| SCHEMBL21337625 | 0.66 | — | — | |
| SCHEMBL22312242 | 0.64 | — | — | |
| SCHEMBL9079161 | 0.63 | — | — | |
| SCHEMBL6943679 | 0.63 | — | — | |
| SCHEMBL3768750 | 0.62 | — | — | |
| SCHEMBL21686322 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL18600438 | 0.60 | — | — | |
| SCHEMBL3268926 | 0.59 | — | — | |
| SCHEMBL17196454 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015028409-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-03-05 | — | — | WO | disclosed |
| EP-2585435-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Bayer Intellectual Property GmbH (DE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161101-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-29 | — | — | WO | disclosed |