⚠ 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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL28268285 | 0.94 | — | — | |
| SCHEMBL5078041 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL15847768 | 0.94 | TSHR (0.61) | — | |
| 1,5-Pentanediol SCHEMBL15847271 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL933466 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL25302278 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL21462773 | 0.94 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL21630075 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL21879690 | 0.94 | TSHR (0.61) | — | |
| SCHEMBL658537 | 0.94 | TSHR (0.61) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011528330-A | — | — | 2011-11-17 | — | — | JP | claimed |
| CN-102124013-A | Process for producing 1, 3, 2-dioxaborinane compounds | BASF SE | 2011-07-13 | — | — | CN | claimed |
| EP-2318418-A2 | PROCESS FOR PRODUCING 1,3,2-DIOXABORINANE COMPOUNDS | BASF SE (DE) | 2011-05-11 | — | — | EP | claimed |
| WO-2010007121-A2 | PROCESS FOR PRODUCING 1,3,2-DIOXABORINANE COMPOUNDS | BASF SE (DE) | 2010-01-21 | — | — | WO | claimed |
| US-20100016484-A1 | PROCESS FOR PRODUCING 1,3,2-DIOXABORINANE COMPOUNDS | BASF SE (DE) | 2010-01-21 | — | — | US | claimed |
| CN-102124013-A | Process for producing 1, 3, 2-dioxaborinane compounds | BASF SE | 2011-07-13 | — | — | CN | disclosed |
| EP-2318418-A2 | PROCESS FOR PRODUCING 1,3,2-DIOXABORINANE COMPOUNDS | BASF SE (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010007121-A2 | PROCESS FOR PRODUCING 1,3,2-DIOXABORINANE COMPOUNDS | BASF SE (DE) | 2010-01-21 | — | — | WO | disclosed |
| US-20100016484-A1 | PROCESS FOR PRODUCING 1,3,2-DIOXABORINANE COMPOUNDS | BASF SE (DE) | 2010-01-21 | — | — | US | disclosed |