⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473441 | 1.00 | — | — | |
| SCHEMBL1792499 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2879584 | 0.98 | CYP19A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2879583 | 0.98 | CYP19A1 (0.37) | — | |
| SCHEMBL7467012 | 0.82 | — | — | |
| SCHEMBL24387772 | 0.80 | CYP3A4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL26965350 | 0.79 | GMNN (0.39) | — | |
| Hydrochloric Acid SCHEMBL27123222 | 0.79 | GMNN (0.39) | — | |
| SCHEMBL12251302 | 0.78 | CYP19A1 (0.38) | — | |
| SCHEMBL171184 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | SEATTLE GENETICS, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-8962622-B2 | Benzotriazole kinase modulators | ROCHE PALO ALTO LLC (US) | 2015-02-24 | — | — | US | disclosed |
| US-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-8343928-B2 | Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus | SEATTLE GENETICS, INC. (US) | 2013-01-01 | — | — | US | disclosed |
| CN-101511359-B | Benzotriazole kinase modulators | HOFFMANN LA ROCHE | 2012-09-05 | — | — | CN | disclosed |
| EP-2066319-B1 | BENZOTRIAZOLE KINASE MODULATORS | HOFFMANN LA ROCHE (CH) | 2012-02-01 | — | — | EP | disclosed |
| US-20100267728-A1 | 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMACEUTICALS, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-20100267728-A1 | 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMACEUTICALS, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| WO-2009038752-A2 | 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMACEUTICALS, INC. (US) | 2009-03-26 | — | — | WO | disclosed |
| US-20080103142-A1 | Benzotriazole kinase modulators | ROCHE PALO ALTO LLC | 2008-05-01 | — | — | US | disclosed |