⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2125754 | 0.72 | — | — | |
| Bicarbonate SCHEMBL15967779 | 0.70 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL167725 | 0.70 | — | — | |
| SCHEMBL797109 | 0.69 | — | — | |
| SCHEMBL17393587 | 0.69 | — | — | |
| SCHEMBL31045 | 0.69 | — | — | |
| SCHEMBL936359 | 0.69 | — | — | |
| SCHEMBL9361809 | 0.69 | — | — | |
| SCHEMBL2967637 | 0.69 | — | — | |
| SCHEMBL6717791 | 0.67 | — | — |
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 204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3130594-B1 | PHOSPHONATES OF ACETYLENIC BETULIN DERIVATIVES WITH ANTICANCER ACTIVITY, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION | SLASKI UNIV MEDYCZNY W KATOWICACH (PL) | 2020-11-11 | — | — | EP | claimed |
| EP-3130594-A1 | PHOSPHONATES OF ACETYLENIC BETULIN DERIVATIVES WITH ANTICANCER ACTIVITY, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION | Slaski Uniwersytet Medyczny w Katowicach (PL) | 2017-02-15 | — | — | EP | claimed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | claimed |
| US-7951816-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-05-31 | — | — | US | claimed |
| EP-3957627-B1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | SHIONOGI & CO (JP) | 2024-06-19 | — | — | EP | disclosed |
| EP-4371979-A1 | FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT | Kumiai Chemical Industry Co., Ltd. (JP) | 2024-05-22 | — | — | EP | disclosed |
| CN-117693500-A | Carboxamide derivative and agricultural/horticultural plant disease control agent | 组合化学工业株式会社 | 2024-03-12 | — | — | CN | disclosed |
| US-11897899-B2 | Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect | SHIONOGI & CO., LTD. (JP) | 2024-02-13 | — | — | US | disclosed |
| EP-3495363-B1 | NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT | SHIONOGI & CO (JP) | 2023-08-23 | — | — | EP | disclosed |
| US-11685740-B2 | Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2023-06-27 | — | — | US | disclosed |
| CN-111492497-B | Charge-transporting varnish and charge-transporting film | 日产化学株式会社 | 2023-05-26 | — | — | CN | disclosed |
| US-11578084-B2 | Condensed ring compounds having dopamine D3 receptor antagonistic effect | SHIONOGI & CO., LTD. (JP) | 2023-02-14 | — | — | US | disclosed |
| EP-1740584-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| EP-1719771-A1 | PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005105802-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6737544-B1 | HEATING ABOVE MELTING POINT | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |