⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27992189 | 0.90 | NOS2 (0.35) | — | |
| SCHEMBL6989750 | 0.90 | NOS2 (0.35) | — | |
| SCHEMBL5720720 | 0.87 | CES2 (0.41) | — | |
| SCHEMBL7392020 | 0.87 | CES2 (0.41) | — | |
| SCHEMBL6990609 | 0.87 | CES2 (0.41) | — | |
| SCHEMBL27603553 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL8324332 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL7105986 | 0.71 | CNR2 (0.34) | — | |
| SCHEMBL5420436 | 0.69 | — | — | |
| SCHEMBL126584 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0427827-B1 | 8-alpha-ACYLAMINO-ERGOLINES, THEIR PREPARATION AND USE AS DRUGS | SCHERING AG (DE) | 1997-01-15 | — | — | 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 |