⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3726345 | 0.86 | — | — | |
| SCHEMBL285224 | 0.85 | TERT (0.59) | — | |
| SCHEMBL3431746 | 0.80 | TBXAS1 (0.66) | — | |
| SCHEMBL9777191 | 0.80 | TBXAS1 (0.60) | — | |
| SCHEMBL1372542 | 0.80 | — | — | |
| SCHEMBL503743 | 0.78 | TBXAS1 (0.69) | — | |
| SCHEMBL28062565 | 0.78 | TBXAS1 (0.69) | — | |
| SCHEMBL1999912 | 0.76 | — | — | |
| SCHEMBL8974 | 0.76 | — | — | |
| SCHEMBL9067 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1263758-A2 | 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-12-11 | — | — | EP | claimed |
| WO-2001066543-A2 | 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-09-13 | — | — | WO | claimed |
| EP-0644878-A1 | 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS | ZENECA LIMITED (GB) | 1995-03-29 | — | — | EP | claimed |
| EP-1263758-A2 | 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001066543-A2 | 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-09-13 | — | — | WO | disclosed |
| US-4906659-A | Antibiotic tan-749, its derivatives, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-03-06 | — | — | US | disclosed |