⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21527442 | 0.55 | — | — | |
| Butane SCHEMBL27893070 | 0.51 | TPMT (0.55) | — | |
| Acetic Acid SCHEMBL11473957 | 0.50 | — | — | |
| Benzene SCHEMBL11654948 | 0.50 | HDAC3 (0.56) | — | |
| Butane SCHEMBL1329645 | 0.49 | FFAR3 (0.54) | — | |
| Butane SCHEMBL21633593 | 0.49 | FFAR3 (0.54) | — | |
| Butane SCHEMBL40275 | 0.49 | FFAR3 (0.54) | — | |
| Butane SCHEMBL29197512 | 0.49 | FFAR3 (0.54) | — | |
| Butane SCHEMBL28896048 | 0.49 | FFAR3 (0.54) | — | |
| Butane SCHEMBL1165212 | 0.49 | FFAR3 (0.54) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0690863-B1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LAB (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-0690863-A1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-01-10 | — | — | EP | disclosed |
| EP-0690863-A4 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LAB (US) | 1995-11-07 | — | — | EP | disclosed |
| WO-1994022858-A1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1994-10-13 | — | — | WO | disclosed |