⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5691878 | 1.00 | — | — | |
| SCHEMBL5692325 | 0.86 | — | — | |
| SCHEMBL5692321 | 0.86 | — | — | |
| SCHEMBL11971291 | 0.77 | — | — | |
| SCHEMBL29003023 | 0.74 | CTDSP1 (0.30) | — | |
| SCHEMBL14893789 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL1170496 | 0.72 | — | — | |
| SCHEMBL1703692 | 0.72 | — | — | |
| SCHEMBL11971122 | 0.71 | — | — | |
| SCHEMBL3382967 | 0.70 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107916-B1 | SPIRO-OXAZOLONES | HOFFMANN LA ROCHE (CH) | 2019-03-20 | — | — | EP | disclosed |
| EP-3107916-B1 | SPIRO-OXAZOLONES | HOFFMANN LA ROCHE (CH) | 2019-03-20 | — | — | EP | disclosed |
| US-9828385-B2 | Spiro-oxazolones | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-9828385-B2 | Spiro-oxazolones | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-9828385-B2 | Spiro-oxazolones | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-3107916-A1 | SPIRO-OXAZOLONES | F. Hoffmann-La Roche AG (CH) | 2016-12-28 | — | — | EP | disclosed |
| US-20160355522-A1 | SPIRO-OXAZOLONES | HOFFMANN-LA ROCHE INC. (US) | 2016-12-08 | — | — | US | disclosed |
| US-20160355522-A1 | SPIRO-OXAZOLONES | HOFFMANN-LA ROCHE INC. (US) | 2016-12-08 | — | — | US | disclosed |
| US-20160355522-A1 | SPIRO-OXAZOLONES | HOFFMANN-LA ROCHE INC. (US) | 2016-12-08 | — | — | US | disclosed |
| WO-2015124541-A1 | SPIRO-OXAZOLONES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-08-27 | — | — | WO | disclosed |
| WO-2015124541-A1 | SPIRO-OXAZOLONES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-08-27 | — | — | WO | disclosed |
| US-7052885-B2 | Process for preparing heterocyclic (R)- and (S)-cyanohydrins | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2006-05-30 | — | — | US | disclosed |
| EP-1323830-B1 | Process for the preparation of heterocyclic (R)- et (S)-cyanohydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2006-04-26 | — | — | EP | disclosed |
| US-6630594-B2 | Spiro-pyran compounds; use as pesticides and herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 2003-10-07 | — | — | US | disclosed |
| US-20030129712-A1 | Process for preparing heterocyclic (R)- and (S)-cyanohydrins | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-07-10 | — | — | US | disclosed |
| EP-1323830-A2 | Process for the preparation of heterocyclic (R)- and (S)-cyanohydrines | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-07-02 | — | — | EP | disclosed |
| US-20020161034-A1 | Methods of making substituted phenylketoenols | HAGEMANN HERMANN (DE) | 2002-10-31 | — | — | US | disclosed |
| US-20020072617-A1 | Novel substituted phenylketoenols | HAGEMANN HERMANN (DE) | 2002-06-13 | — | — | US | disclosed |
| US-6391912-B1 | PESTICIDES, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |
| US-6288102-B1 | Substituted phenylketoenols and their use as pesticides and herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-11 | — | — | US | disclosed |