⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7552893 | 0.85 | — | — | |
| SCHEMBL7554557 | 0.85 | — | — | |
| SCHEMBL7558749 | 0.85 | — | — | |
| SCHEMBL7553735 | 0.85 | — | — | |
| SCHEMBL7553159 | 0.85 | — | — | |
| SCHEMBL7557920 | 0.85 | — | — | |
| SCHEMBL24160323 | 0.81 | — | — | |
| SCHEMBL7554560 | 0.81 | — | — | |
| SCHEMBL7559036 | 0.81 | — | — | |
| SCHEMBL21208023 | 0.81 | CES2 (0.32) | — |
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-7145015-B2 | Benzocycloheptenes, process for their production, pharmaceutical preparations that contain that latter as well as their use for the production of pharmaceutical agents | SCHERING AG (DE) | 2006-12-05 | — | — | US | disclosed |
| US-20050182081-A1 | Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-08-18 | — | — | US | disclosed |
| US-6878750-B2 | Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents | SCHERING AG (DE) | 2005-04-12 | — | — | US | disclosed |
| US-20030050324-A1 | Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents | SCHERING AG (DE) | 2003-03-13 | — | — | US | disclosed |
| US-6495607-B2 | 8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE DERIVATIVES ARE USEFUL FOR PHOPHYLAXIS AND THERAPY OF OSTEOPOROSIS(HAVE SELECTIVE ESTROGENIC ACTIVITY ON BONES) | SCHERING AG (DE) | 2002-12-17 | — | — | US | disclosed |
| US-20020068765-A1 | BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2002-06-06 | — | — | US | disclosed |