⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL592798 | 0.76 | GRIA1 (0.31) | — | |
| SCHEMBL221144 | 0.72 | — | — | |
| SCHEMBL17529616 | 0.72 | NOTUM (0.31) | — | |
| SCHEMBL15541292 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL1567637 | 0.69 | EPHX2 (0.32) | — | |
| SCHEMBL7019991 | 0.69 | CYP2A6 (0.34) | — | |
| SCHEMBL7401733 | 0.69 | — | — | |
| SCHEMBL3120583 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL7445527 | 0.69 | — | — | |
| SCHEMBL1966362 | 0.68 | NOTUM (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2990404-B1 | TETRAZOLINONE COMPOUND AND USE OF SAME | SUMITOMO CHEMICAL CO (JP) | 2020-05-27 | — | — | EP | disclosed |
| EP-3029030-B1 | TETRAZOLINONE COMPOUND, AND USE THEREFOR | SUMITOMO CHEMICAL CO (JP) | 2019-09-04 | — | — | EP | disclosed |
| US-9867372-B2 | Tetrazolinone compound and use of same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-01-16 | — | — | US | disclosed |
| EP-2334683-B1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | MSD ITALIA SRL (IT) | 2017-03-22 | — | — | EP | disclosed |
| US-9512090-B2 | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-12-06 | — | — | US | disclosed |
| US-20160159755-A1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-06-09 | — | — | US | disclosed |
| EP-3029030-A1 | TETRAZOLINONE COMPOUND, AND USE THEREFOR | Sumitomo Chemical Company, Limited (JP) | 2016-06-08 | — | — | EP | disclosed |
| US-20160081339-A1 | TETRAZOLINONE COMPOUND AND USE OF SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-03-24 | — | — | US | disclosed |
| EP-2990404-A1 | TETRAZOLINONE COMPOUND AND USE OF SAME | Sumitomo Chemical Company Limited (JP) | 2016-03-02 | — | — | EP | disclosed |
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| US-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Instituto di Ricerche di Biologia Molecolare P. Ang | 2011-07-28 | — | — | US | disclosed |
| EP-2334683-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010023480-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-03-04 | — | — | WO | disclosed |