⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL10837526 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL10452616 | 0.81 | — | — | |
| SCHEMBL15542337 | 0.77 | CHRNB2 (0.32) | — | |
| SCHEMBL7459957 | 0.77 | — | — | |
| SCHEMBL9364438 | 0.73 | — | — | |
| SCHEMBL17767259 | 0.58 | — | — | |
| SCHEMBL4385624 | 0.58 | PTPN1 (0.33) | — | |
| SCHEMBL17627829 | 0.53 | CTDSP1 (0.50) | — | |
| SCHEMBL1031219 | 0.53 | CTDSP1 (0.50) | — | |
| SCHEMBL8427 | 0.53 | CTDSP1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802788-A4 | NOVEL THERAPEUTIC DELIVERY SYSTEMS | UNGER EVAN C (US) | 1998-09-09 | — | — | EP | claimed |
| EP-0802788-A1 | NOVEL THERAPEUTIC DELIVERY SYSTEMS | UNGER, Evan C (US) | 1997-10-29 | — | — | EP | claimed |
| WO-1994028874-A1 | NOVEL THERAPEUTIC DELIVERY SYSTEMS | UNGER EVAN C (US) | 1994-12-22 | — | — | WO | claimed |