⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6721895 | 0.77 | TAAR1 (0.43) | — | |
| SCHEMBL9643640 | 0.75 | HTT (0.48) | — | |
| Isopropylbenzene SCHEMBL87809 | 0.73 | TAAR1 (0.50) | — | |
| SCHEMBL169730 | 0.73 | TAAR1 (0.50) | — | |
| Isopropylbenzene SCHEMBL6568 | 0.73 | — | — | |
| SCHEMBL908216 | 0.73 | TAAR1 (0.50) | — | |
| Isopropylbenzene SCHEMBL11254813 | 0.73 | — | — | |
| SCHEMBL7499823 | 0.73 | TAAR1 (0.50) | — | |
| SCHEMBL132872 | 0.73 | DPP4 (0.47) | — | |
| Isopropylbenzene SCHEMBL8431863 | 0.73 | TAAR1 (0.50) | — |
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 890 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4800964-B2 | — | — | 2011-10-26 | — | — | JP | claimed |
| US-20110082144-A1 | N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES | TRANSTECH PHARMA, INC. (US) | 2011-04-07 | — | — | US | claimed |
| EP-1392660-B1 | SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS | BAYER AG (DE) | 2010-08-04 | — | — | EP | claimed |
| US-7635664-B2 | Herbicidal substituted benzoylpyrazoles | BAYER CROPSCIENCE AG (DE) | 2009-12-22 | — | — | US | claimed |
| US-20090042730-A1 | Substituted Arylketones | HERRMANN STEFAN | 2009-02-12 | — | — | US | claimed |
| US-7456133-B2 | Substituted arylketones | BAYER CROPSCIENCE AG (DE) | 2008-11-25 | — | — | US | claimed |
| US-20080214552-A1 | Substituted Pyridazinecarboxamides and Derivatives Thereof | BAYER CROPSCIENCE AG (DE) | 2008-09-04 | — | — | US | claimed |
| US-20080113994-A1 | Annelated Quinoline Derivatives As Pesticide | VELTEN ROBERT | 2008-05-15 | — | — | US | claimed |
| US-7348315-B2 | Methods of treating heart failure with modified ATP, ADP and AMP compounds | THE UNIVERSITY OF CONNECTICUT (US) | 2008-03-25 | — | — | US | claimed |
| JP-2007512264-A | — | — | 2007-05-17 | — | — | JP | claimed |
| EP-0334147-A1 | Disubstituted pyrroles | BAYER AG (DE) | 1989-09-27 | — | — | EP | claimed |
| EP-0330057-A2 | Substituted pyrimidines | BAYER AG (DE) | 1989-08-30 | — | — | EP | claimed |
| EP-0325129-A2 | Disubstituted pyridines | BAYER AG (DE) | 1989-07-26 | — | — | EP | claimed |
| EP-0325130-A2 | Substituted pyridines | BAYER AG (DE) | 1989-07-26 | — | — | EP | claimed |
| EP-0317845-A2 | Substituted hydroxyl amines | BAYER AG (DE) | 1989-05-31 | — | — | EP | claimed |
| EP-0287890-A1 | Substituted pyrroles | BAYER AG (DE) | 1988-10-26 | — | — | EP | claimed |
| US-4681699-A | Bisazo dyes and their use in liquid crystalline materials | BASF AKTIENGESELLSCHAFT (DE) | 1987-07-21 | — | — | US | claimed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | claimed |
| US-4292238-A | Alkylation of benzthiazole-azo-phenylamine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-29 | — | — | US | claimed |
| US-4016263-A | BACTERICIDES | BOEHRINGER INGELHEIM GMBH (DT) | 1977-04-05 | — | — | US | claimed |