⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7507192 | 0.94 | — | — | |
| SCHEMBL7463540 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL7457561 | 0.79 | RXFP1 (0.31) | — | |
| SCHEMBL7507189 | 0.79 | RXFP1 (0.31) | — | |
| SCHEMBL7463925 | 0.79 | — | — | |
| SCHEMBL6855394 | 0.77 | SIGMAR1 (0.34) | — | |
| SCHEMBL7002368 | 0.77 | DHFR (0.31) | — | |
| SCHEMBL6999029 | 0.76 | KMT2A (0.34) | — | |
| SCHEMBL6999028 | 0.76 | KMT2A (0.34) | — | |
| SCHEMBL6856200 | 0.74 | CHRNB2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002543199-A | — | — | 2002-12-17 | — | — | JP | claimed |
| EP-1177195-A1 | 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV | WARNER-LAMBERT COMPANY (US) | 2002-02-06 | — | — | EP | claimed |
| WO-2000066584-A1 | 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV | WARNER-LAMBERT COMPANY (US) | 2000-11-09 | — | — | WO | claimed |