⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4369646 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2829168 | 0.98 | LTA4H (0.32) | — | |
| SCHEMBL4681957 | 0.82 | — | — | |
| SCHEMBL21111099 | 0.75 | CYP19A1 (0.34) | — | |
| SCHEMBL503133 | 0.72 | GRIA1 (0.41) | — | |
| SCHEMBL473559 | 0.72 | — | — | |
| SCHEMBL473425 | 0.72 | — | — | |
| SCHEMBL3998238 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL21722445 | 0.70 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL3065560 | 0.70 | HTR2A (0.34) | — |
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 11 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-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 |
| EP-2114158-B1 | 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMA INC (US) | 2012-08-08 | — | — | 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 |
| US-20100041647-A1 | 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses | CORTEX PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | US | disclosed |
| CN-101626686-A | 3-substituent-1, 2, 3-benzotriazinone compounds for improving glutaminic synaptic responses | CORTEX PHARMA INC | 2010-01-13 | — | — | CN | disclosed |
| EP-2114158-A1 | 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMACEUTICALS, INC. (US) | 2009-11-11 | — | — | EP | 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 |
| WO-2008085505-A1 | 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | WO | disclosed |