⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL242646 | 0.84 | HDAC8 (0.33) | — | |
| SCHEMBL27739 | 0.77 | — | — | |
| SCHEMBL16955503 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL17046357 | 0.73 | — | — | |
| SCHEMBL16951591 | 0.73 | — | — | |
| SCHEMBL23274048 | 0.73 | — | — | |
| SCHEMBL16957317 | 0.73 | — | — | |
| SCHEMBL16953591 | 0.73 | — | — | |
| SCHEMBL718951 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL7713 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | claimed |
| WO-1999001442-A1 | TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ZENECA LIMITED (GB) | 1999-01-14 | — | — | WO | claimed |
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| WO-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | disclosed |
| WO-1999001442-A1 | TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ZENECA LIMITED (GB) | 1999-01-14 | — | — | WO | disclosed |