⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL491434 | 0.96 | — | — | |
| SCHEMBL984941 | 0.92 | — | — | |
| SCHEMBL3883393 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL9004375 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL491425 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL1173999 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL11001515 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL22033682 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL22033837 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL10494046 | 0.83 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | claimed |
| US-5795905-A | 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES | NEUROCRINE BIOSCIENCES, INC. (US) | 1998-08-18 | — | — | US | disclosed |
| EP-0846108-A1 | AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996039400-A1 | AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 1996-12-12 | — | — | WO | disclosed |