⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11832206 | 0.93 | — | — | |
| SCHEMBL345819 | 0.55 | — | — | |
| SCHEMBL2825402 | 0.55 | — | — | |
| SCHEMBL18583040 | 0.55 | — | — | |
| SCHEMBL23721699 | 0.50 | — | — | |
| SCHEMBL4330924 | 0.50 | — | — | |
| SCHEMBL7714929 | 0.50 | — | — | |
| SCHEMBL5133363 | 0.50 | — | — | |
| SCHEMBL3818637 | 0.50 | — | — | |
| SCHEMBL1418382 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2057145-A1 | SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-{N-(4-METHYL-1-(4-CARBOXY-PYRIDIN-2-YL)PIPERIDIN-4-YL)GLYCYL}PYRROLIDINE-2-CARBONITRILE | Abbott Laboratories (US) | 2009-05-13 | — | — | EP | claimed |
| WO-2008011499-A1 | SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-{N-(4-METHYL-1-(4-CARBOXY-PYRIDIN-2-YL)PIPERIDIN-4-YL)GLYCYL}PYRROLIDINE-2-CARBONITRILE | ABBOTT LABORATORIES (US) | 2008-01-24 | — | — | WO | claimed |
| US-5059590-A | Antitumor agents | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1991-10-22 | — | — | US | claimed |
| EP-0331080-A2 | Imidazole derivatives, process for production thereof, and use thereof | Yamasa Shoyu Kabushiki Kaisha (JP) | 1989-09-06 | — | — | EP | claimed |
| EP-1037886-B1 | TRIAZINE ANGIOGENESIS INHIBITORS | ABBOTT LAB (US) | 2003-05-02 | — | — | EP | disclosed |
| US-6288228-B1 | DIAMINOTRIAZINE DERIVATIVES | ABBOTT LABORATORIES | 2001-09-11 | — | — | US | disclosed |
| US-6150362-A | ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES | ABBVIE INC. | 2000-11-21 | — | — | US | disclosed |
| EP-1037886-A1 | TRIAZINE ANGIOGENESIS INHIBITORS | Abbott Laboratories (US) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999031088-A1 | TRIAZINE ANGIOGENESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-06-24 | — | — | WO | disclosed |
| US-5126361-A | Antitumor agentss | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1992-06-30 | — | — | US | disclosed |
| US-5059590-A | Antitumor agents | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1991-10-22 | — | — | US | disclosed |
| EP-0331080-A2 | Imidazole derivatives, process for production thereof, and use thereof | Yamasa Shoyu Kabushiki Kaisha (JP) | 1989-09-06 | — | — | EP | disclosed |