⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18987 | 0.73 | CYP1A2 (0.39) | — | |
| SCHEMBL18981 | 0.73 | TNF (0.36) | — | |
| SCHEMBL449810 | 0.71 | — | — | |
| SCHEMBL448894 | 0.71 | — | — | |
| SCHEMBL19971916 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL35 | 0.69 | CYP2A6 (0.39) | — | |
| SCHEMBL597746 | 0.69 | CYP2A6 (0.39) | — | |
| SCHEMBL756551 | 0.69 | CYP2A6 (0.32) | — | |
| SCHEMBL1450435 | 0.69 | CYP1A2 (0.53) | — | |
| SCHEMBL4023171 | 0.69 | KDM4E (0.30) | — |
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
Appears in 3043 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2423212-B1 | PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND | NISSAN CHEMICAL IND LTD (JP) | 2016-06-01 | — | — | EP | claimed |
| EP-2969593-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES | Bridgestone Corporation (JP) | 2016-01-20 | — | — | EP | claimed |
| CN-105209268-A | Heterocyclic imine functionalized polymers | BRIDGESTONE CORP | 2015-12-30 | — | — | CN | claimed |
| WO-2014149931-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES | BRIDGESTONE CORPORATION (JP) | 2014-09-25 | — | — | WO | claimed |
| CN-103733287-A | Dye-sensitized solar cell | TOPPAN PRINTING CO LTD | 2014-04-16 | — | — | CN | claimed |
| CN-103304428-A | Amine-based compound, organic light-emitting diode including the same, and organic light-emitting apparatus including the amine-based compound | SAMSUNG DISPLAY CO LTD | 2013-09-18 | — | — | CN | claimed |
| CN-102964347-A | 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and the use of the same as medicaments | BOEHRINGER INGELHEIM PHARMA | 2013-03-13 | — | — | CN | claimed |
| CN-102816157-A | Nitrocatechol derivatives as COMT inhibitors | BIAL PORTELA & CA SA | 2012-12-12 | — | — | CN | claimed |
| CN-102573478-A | 1- (pyridin-3-yl) -pyrazoles and 1- (pyrimidin-5-yl) -pyrazoles as pesticides | BAYER CROPSCIENCE AG | 2012-07-11 | — | — | CN | claimed |
| CN-101248064-B | Nitrocatechol derivatives as COMT inhibitors | PORTELA & CA SA | 2012-07-04 | — | — | CN | claimed |
| CN-1108248-A | Glycoprotein IIB/IIIA antagonists | LILLY CO ELI (US) | 1995-09-13 | — | — | CN | claimed |
| CN-1094045-A | Pyridopyrimidine derivatives and preparation thereof and purposes | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-10-26 | — | — | CN | claimed |
| CN-1083054-A | Tachykinin receptor antagonists, isoquinolone and their generation | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-03-02 | — | — | CN | claimed |
| US-5280009-A | Herbicide | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | claimed |
| CN-1021910-C | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-08-25 | — | — | CN | claimed |
| CN-1068333-A | Has hydrazine analog derivative of pharmacologically active and preparation method thereof | CIBA GEIGY AG (CH) | 1993-01-27 | — | — | CN | claimed |
| CN-1063014-A | Stable composition pesticide | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1992-07-29 | — | — | CN | claimed |
| CN-1059719-A | Novel substituted guanidine derivatives, their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1992-03-25 | — | — | CN | claimed |
| EP-0167820-B1 | PROCESS FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED BENZ(C,D)-INDOL-2-ONES (NAPHTHOLACTAMES) | BAYER AG (DE) | 1989-04-26 | — | — | EP | claimed |
| CN-1031079-A | Alpha-unsaturated amines, process for their production and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1989-02-15 | — | — | CN | claimed |