⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24113782 | 0.89 | THRA (0.31) | — | |
| SCHEMBL13464765 | 0.86 | CYP1A2 (0.42) | — | |
| SCHEMBL17614833 | 0.83 | — | — | |
| SCHEMBL17614836 | 0.83 | — | — | |
| SCHEMBL21097680 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL19421055 | 0.82 | GNAO1 (0.33) | — | |
| SCHEMBL17614831 | 0.82 | TLR4 (0.35) | — | |
| SCHEMBL16302435 | 0.80 | THRA (0.42) | — | |
| SCHEMBL19421054 | 0.80 | NCF1 (0.48) | — | |
| SCHEMBL18559467 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4143195-A1 | IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 | Janssen Pharmaceutica NV (BE) | 2023-03-08 | — | — | EP | disclosed |
| EP-3570329-B1 | DISPLAY DEVICE | SAMSUNG DISPLAY CO LTD (KR) | 2022-12-14 | — | — | EP | disclosed |
| WO-2021222404-A1 | IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 | JANSSEN BIOTECH, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-8324417-B2 | Process for the preparation of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof | VIROBAY, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110046406-A1 | PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF | VIROBAY, INC. (US) | 2011-02-24 | — | — | US | disclosed |