⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7207847 | 0.71 | — | — | |
| SCHEMBL604167 | 0.67 | — | — | |
| SCHEMBL439351 | 0.67 | — | — | |
| Acetic Acid SCHEMBL3392891 | 0.63 | — | — | |
| SCHEMBL28916517 | 0.63 | — | — | |
| SCHEMBL15547498 | 0.63 | — | — | |
| SCHEMBL1101045 | 0.63 | — | — | |
| SCHEMBL444840 | 0.63 | — | — | |
| SCHEMBL262557 | 0.63 | — | — | |
| Acetic Acid SCHEMBL21518270 | 0.60 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103732589-B | Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-30 | — | — | CN | disclosed |
| CN-104884452-A | Compounds useful as inhibitors of indoleamine 2, 3-dioxygenase | VERTEX PHARMA | 2015-09-02 | — | — | CN | disclosed |
| CN-102076671-B | Triazole derivative or salt thereof | ASTELLAS PHARMA INC | 2013-05-15 | — | — | CN | disclosed |
| CN-102834387-A | Phenylpyri(mi)dinylpyrazoles and their use as fungicides | BAYER CROPSCIENCE AG | 2012-12-19 | — | — | CN | disclosed |
| CN-102076671-A | Triazole derivative or salt thereof | ASTELLAS PHARMA INC | 2011-05-25 | — | — | CN | disclosed |
| CN-102066358-A | CGRP receptor antagonists | BRISTOL MYERS SQUIBB CO | 2011-05-18 | — | — | CN | disclosed |
| CN-1972929-A | Heterocyclic CGRP antagonists for the treatment of migraine | BRISTOL MYERS SQUIBB CO (US) | 2007-05-30 | — | — | CN | disclosed |
| CN-1914193-A | Heterocyclic antimigraine agents | BRISTOL MYERS SQUIBB CO (US) | 2007-02-14 | — | — | CN | disclosed |