⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8194 | 0.64 | ALDH1A1 (0.67) | — | |
| SCHEMBL30099834 | 0.64 | ALDH1A1 (0.67) | — | |
| SCHEMBL994996 | 0.62 | — | — | |
| SCHEMBL10851 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL5845836 | 0.62 | — | — | |
| SCHEMBL2859206 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3439030 | 0.61 | ALDH1A1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL3710107 | 0.61 | ALDH1A1 (0.63) | — | |
| SCHEMBL28519048 | 0.61 | ALDH1A1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL3704751 | 0.61 | ALDH1A1 (0.63) | — |
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-10450320-B2 | Hexahydropyrazinotriazinone derivatives as kinase inhibitors | UCB BIOPHARMA SPRL (BE) | 2019-10-22 | — | — | US | claimed |
| US-20180362532-A1 | Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors | UCB BIOPHARMA SPRL (BE) | 2018-12-20 | — | — | US | claimed |
| US-6852744-B2 | Pyrrolidine derivatives and their use as chymase inhibitor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2005-02-08 | — | — | US | claimed |
| US-20040102384-A1 | Pyrrolidine derivatives and their use as chymase inhibitor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-05-27 | — | — | US | claimed |
| EP-1313730-A1 | PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR | Dainippon Pharmaceutical Co., Ltd. (JP) | 2003-05-28 | — | — | EP | claimed |
| WO-2002018378-A1 | PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2002-03-07 | — | — | WO | claimed |
| US-10450320-B2 | Hexahydropyrazinotriazinone derivatives as kinase inhibitors | UCB BIOPHARMA SPRL (BE) | 2019-10-22 | — | — | US | disclosed |
| US-20180362532-A1 | Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors | UCB BIOPHARMA SPRL (BE) | 2018-12-20 | — | — | US | disclosed |
| US-6852744-B2 | Pyrrolidine derivatives and their use as chymase inhibitor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2005-02-08 | — | — | US | disclosed |
| US-20040102384-A1 | Pyrrolidine derivatives and their use as chymase inhibitor | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1313730-A1 | PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR | Dainippon Pharmaceutical Co., Ltd. (JP) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002018378-A1 | PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2002-03-07 | — | — | WO | disclosed |