⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26192643 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL8024528 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL20078294 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL760035 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL5157716 | 0.87 | MAPK1 (0.55) | — | |
| SCHEMBL5668591 | 0.86 | KDM4E (0.56) | — | |
| SCHEMBL19309079 | 0.85 | MEN1 (0.56) | — | |
| SCHEMBL5155263 | 0.85 | MEN1 (0.56) | — | |
| SCHEMBL12893042 | 0.85 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL13113468 | 0.85 | ALDH1A1 (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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3008055-B1 | TETRAZOLONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-07-19 | — | — | EP | claimed |
| EP-3008055-A1 | NOVEL TETRAZOLONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-04-20 | — | — | EP | claimed |
| US-20160083357-A1 | NOVEL TETRAZOLONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-03-24 | — | — | US | claimed |
| CN-105283452-A | Novel tetrazolone derivatives | HOFFMANN LA ROCHE | 2016-01-27 | — | — | CN | claimed |
| WO-2014198592-A1 | NOVEL TETRAZOLONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-12-18 | — | — | WO | claimed |
| EP-2640724-A1 | NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2013-09-25 | — | — | EP | claimed |
| US-20130245006-A1 | NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2013-09-19 | — | — | US | claimed |
| WO-2012066234-A9 | NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-11-01 | — | — | WO | claimed |
| US-20120270853-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-10-25 | — | — | US | claimed |
| WO-2012066234-A1 | NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-05-24 | — | — | WO | claimed |
| US-20090253766-A1 | THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | claimed |
| US-20090181983-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL -MEYERS SQUIBB COMPANY | 2009-07-16 | — | — | US | claimed |
| EP-1981854-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-10-22 | — | — | EP | claimed |
| EP-1966141-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-09-10 | — | — | EP | claimed |
| US-20080161373-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB CO. | 2008-07-03 | — | — | US | claimed |
| WO-2007070818-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | claimed |
| WO-2007070816-A2 | THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | claimed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | claimed |
| US-5059713-A | Selective catalytic cracking of carboxylic acid amides with magnesium sulfide and mixed oxides catalyst | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-10-22 | — | — | US | claimed |
| EP-0238357-B1 | 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE | Sankyo Company Limited (JP) | 1991-05-29 | — | — | EP | claimed |