⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4578550 | 0.92 | — | — | |
| SCHEMBL910591 | 0.76 | — | — | |
| SCHEMBL3649067 | 0.74 | — | — | |
| SCHEMBL201821 | 0.69 | — | — | |
| SCHEMBL11280434 | 0.69 | — | — | |
| SCHEMBL25628542 | 0.67 | GAA (0.31) | — | |
| SCHEMBL27797001 | 0.67 | UGT2B7 (0.32) | — | |
| SCHEMBL7652118 | 0.67 | GAA (0.31) | — | |
| SCHEMBL19125601 | 0.67 | — | — | |
| SCHEMBL16933846 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3059239-B1 | SULFUR-CONTAINING BICYCLIC COMPOUND | ASTELLAS PHARMA INC (JP) | 2018-06-27 | — | — | EP | disclosed |
| CN-105636965-B | The ring type compound of sulfur-bearing two | 安斯泰来制药株式会社 | 2017-11-24 | — | — | CN | disclosed |
| CN-105636965-A | Sulfur-containing bicyclic compound | ASTELLAS PHARMA INC | 2016-06-01 | — | — | CN | disclosed |
| CN-1149214-C | Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient | ������������ʽ���� | 2004-05-12 | — | — | CN | disclosed |
| US-6492364-B1 | Triazolo and derivatives as chemokine inhibitors | TORAY INDUSTRIES, INC. (JP) | 2002-12-10 | — | — | US | disclosed |
| EP-1067130-A1 | TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2001-01-10 | — | — | EP | disclosed |