⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15263002 | 0.85 | — | — | |
| SCHEMBL7946802 | 0.76 | — | — | |
| SCHEMBL15263172 | 0.76 | CA12 (0.30) | — | |
| SCHEMBL15263354 | 0.75 | CA12 (0.32) | — | |
| SCHEMBL15263455 | 0.75 | — | — | |
| SCHEMBL7957703 | 0.72 | — | — | |
| SCHEMBL14775191 | 0.69 | — | — | |
| SCHEMBL14775603 | 0.69 | CA12 (0.33) | — | |
| SCHEMBL15153129 | 0.68 | CA1 (0.42) | — | |
| SCHEMBL9995600 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130252890-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) | 2013-09-26 | — | — | US | disclosed |
| US-6288051-B1 | ESTROGEN-DEPENDENT BREAST CANCER TREATMENT | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-09-11 | — | — | US | disclosed |