⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6840681 | 0.88 | SLC22A1 (0.35) | — | |
| SCHEMBL6841563 | 0.74 | FFAR3 (0.33) | — | |
| SCHEMBL6841561 | 0.74 | FFAR3 (0.33) | — | |
| SCHEMBL20995915 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL27836840 | 0.66 | TSHR (0.35) | — | |
| SCHEMBL30063270 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL28439813 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL29220251 | 0.64 | LMNA (0.33) | — | |
| SCHEMBL16086417 | 0.64 | HCAR2 (0.39) | — | |
| SCHEMBL9070666 | 0.63 | ALDH1A1 (0.35) | — |
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-20040167351-A1 | Method for preparing (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-3-one derivatives | BERNEGGER-EGLI CHRISTINE (CH) | 2004-08-26 | — | — | US | disclosed |
| US-6780634-B1 | Method for producing (1R,4S)-2-azabicyclo[2.2.1]-hept-5-en-3-on derivatives | LONZA AG (CH) | 2004-08-24 | — | — | US | disclosed |