⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29485692 | 0.85 | CHRNA7 (0.74) | — | |
| SCHEMBL724866 | 0.85 | CHRNA7 (0.74) | — | |
| SCHEMBL6319382 | 0.85 | TDP1 (0.67) | — | |
| SCHEMBL724788 | 0.81 | TDP1 (0.80) | — | |
| SCHEMBL29485675 | 0.81 | TDP1 (0.80) | — | |
| SCHEMBL2843094 | 0.81 | CYP2A6 (0.76) | — | |
| SCHEMBL42240 | 0.81 | — | — | |
| SCHEMBL29485677 | 0.81 | CYP2A6 (0.76) | — | |
| SCHEMBL8658187 | 0.79 | HRH1 (0.81) | — | |
| SCHEMBL8700016 | 0.79 | CYP1A2 (0.66) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110092490-A1 | PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS | THE UNIVERSITY OF NOTTINGHAM (GB) | 2011-04-21 | — | — | US | claimed |
| WO-2009118567-A2 | PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS | THE UNIVERSITY OF NOTTINGHAM (GB) | 2009-10-01 | — | — | WO | claimed |
| EP-1412328-B1 | DOLASTATIN 10 DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | claimed |
| CN-1553897-A | Dolastatin 10 derivatives | - | 2004-12-08 | — | — | CN | claimed |
| US-6737409-B2 | FOR CANCER THERAPY | HOFFMANN-LA ROCHE INC. | 2004-05-18 | — | — | US | claimed |
| EP-1412328-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2004-04-28 | — | — | EP | claimed |
| US-20030055002-A1 | Dolastatin 10 derivatives | HOFFMANN-LA ROCHE INC. | 2003-03-20 | — | — | US | claimed |
| WO-2003008378-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-01-30 | — | — | WO | claimed |
| US-20110092490-A1 | PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS | THE UNIVERSITY OF NOTTINGHAM (GB) | 2011-04-21 | — | — | US | disclosed |
| WO-2009118567-A2 | PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS | THE UNIVERSITY OF NOTTINGHAM (GB) | 2009-10-01 | — | — | WO | disclosed |
| US-7494989-B2 | Pyridine compounds useful as N-type calcium channel antagonists | AJINOMOTO CO., INC. (JP) | 2009-02-24 | — | — | US | disclosed |
| US-20080070903-A1 | NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES | AJINOMOTO CO., INC (JP) | 2008-03-20 | — | — | US | disclosed |
| US-7288544-B2 | Pyrimidine compounds useful as N-type calcium channel antagonists | AJINOMOTO CO., INC. (JP) | 2007-10-30 | — | — | US | disclosed |
| EP-1412328-B1 | DOLASTATIN 10 DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | disclosed |
| US-20050014810-A1 | Use of substituted 2 phenylbenzimidazoles as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-01-20 | — | — | US | disclosed |
| CN-1553897-A | Dolastatin 10 derivatives | - | 2004-12-08 | — | — | CN | disclosed |
| US-6737409-B2 | FOR CANCER THERAPY | HOFFMANN-LA ROCHE INC. | 2004-05-18 | — | — | US | disclosed |
| US-20040009991-A1 | Pyrimidine derivatives and new pyridine derivatives | AJINOMOTO CO., INC. (JP) | 2004-01-15 | — | — | US | disclosed |
| EP-1318147-A1 | NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2003-06-11 | — | — | EP | disclosed |
| US-20030055002-A1 | Dolastatin 10 derivatives | HOFFMANN-LA ROCHE INC. | 2003-03-20 | — | — | US | disclosed |