⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8790855 | 0.76 | HSD11B1 (0.46) | — | |
| SCHEMBL8790214 | 0.73 | CHRM2 (0.33) | — | |
| SCHEMBL8790767 | 0.72 | HSD11B1 (0.34) | — | |
| SCHEMBL8790669 | 0.70 | CHRM2 (0.36) | — | |
| Oxalic Acid SCHEMBL8791335 | 0.70 | — | — | |
| Oxalic Acid SCHEMBL8791341 | 0.70 | — | — | |
| SCHEMBL9049643 | 0.70 | HSD11B1 (0.46) | — | |
| SCHEMBL8790791 | 0.70 | NR1H4 (0.33) | — | |
| SCHEMBL8791005 | 0.69 | CHRM2 (0.38) | — | |
| Oxalic Acid SCHEMBL8790892 | 0.69 | CHRM2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0413545-B1 | Azabicyclic compounds | BEECHAM GROUP PLC (GB) | 1997-05-14 | — | — | EP | claimed |
| EP-0413545-A2 | Azabicyclic compounds | Beecham Group p.l.c. (GB) | 1991-02-20 | — | — | EP | claimed |