⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15063604 | 0.83 | ESR2 (0.47) | — | |
| SCHEMBL458125 | 0.73 | — | — | |
| SCHEMBL105204 | 0.73 | CA1 (0.48) | — | |
| SCHEMBL15063645 | 0.72 | CYP1A1 (0.47) | — | |
| SCHEMBL163245 | 0.71 | — | — | |
| SCHEMBL5168543 | 0.71 | — | — | |
| SCHEMBL1029610 | 0.71 | — | — | |
| SCHEMBL884180 | 0.71 | — | — | |
| SCHEMBL8267 | 0.71 | — | — | |
| SCHEMBL28904555 | 0.71 | APP (0.41) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4397691-B2 | — | — | 2010-01-13 | — | — | JP | claimed |
| US-20080125446-A1 | Purine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2008-05-29 | — | — | US | claimed |
| US-7241890-B2 | Purine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-10 | — | — | US | claimed |
| JP-2005511565-A | — | — | 2005-04-28 | — | — | JP | claimed |
| US-20050049263-A1 | Purine analogs having hsp90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2005-03-03 | — | — | US | claimed |
| EP-1440072-A4 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | CONFORMA THERAPEUTIC CORP (US) | 2005-02-02 | — | — | EP | claimed |
| EP-1440072-A2 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | Conforma Therapeutic Corporation (US) | 2004-07-28 | — | — | EP | claimed |
| WO-2003037860-A2 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | CONFORMA THERAPEUTICS CORPORATION (US) | 2003-05-08 | — | — | 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 |
| EP-2336133-A1 | Purine analogs having HSP90-inhibiting activity | Conforma Therapeutics Corporation (US) | 2011-06-22 | — | — | EP | disclosed |
| US-20080249137-A1 | PPAR active compounds | PLEXXIKON INC | 2008-10-09 | — | — | US | disclosed |