⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12870189 | 1.00 | — | — | |
| SCHEMBL18412739 | 1.00 | — | — | |
| SCHEMBL1050786 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL6290748 | 0.79 | TDP1 (0.32) | — | |
| SCHEMBL560884 | 0.79 | TDP1 (0.41) | — | |
| SCHEMBL16415632 | 0.78 | TDP1 (0.35) | — | |
| SCHEMBL20118684 | 0.77 | TDP1 (0.39) | — | |
| SCHEMBL24279174 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL21129089 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL24279166 | 0.76 | ALDH1A1 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| US-20100240646-A1 | PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-09-23 | — | — | US | disclosed |
| US-7759343-B2 | Pyrrolo-triazine aniline compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-20 | — | — | US | disclosed |
| US-7671068-B2 | N-(alkoxyalkyl) carbamoyl-substituted 6-phenyl-benzonaphthyridine derivatives and their use as PDE ¾ inhibitors | NYCOMED GMBH (DE) | 2010-03-02 | — | — | US | disclosed |
| US-20090105243-A1 | Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-04-23 | — | — | US | disclosed |
| US-7462616-B2 | Pyrrolo-triazine aniline compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-09 | — | — | US | disclosed |
| US-20070208051-A1 | Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors | ALTANA PHARMA AG (DE) | 2007-09-06 | — | — | US | disclosed |
| US-20070043053-A1 | Pyrrolo-triazine aniline compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-02-22 | — | — | US | disclosed |
| US-7160883-B2 | Pyrrolo-triazine aniline compounds useful as kinase inhibitors | BRISTOL-MYERS-SQUIBB COMPANY (US) | 2007-01-09 | — | — | US | disclosed |
| EP-1732925-A1 | NOVEL N-(ALKOXYALKYL)CARBAMOYL- SUBSTITUTED 6-PHENYL-BENZONAPHTHYRIDINE DERIVATIVES AND THEIR USE AS PDE3/4 INHIBITORS | Altana Pharma AG (DE) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005090345-A1 | NOVEL N- (ALKOXYALKYL) CARBAMOYL - SUBSTITUTED 6-PHENYL-BENZONAPHTHYRIDINE DERIVATIVES AND THEIR USE AS PDE3/4 INHIBITORS | ALTANA PHARMA AG (DE) | 2005-09-29 | — | — | WO | disclosed |