⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7520554 | 1.00 | — | — | |
| SCHEMBL5012792 | 0.86 | — | — | |
| SCHEMBL1099712 | 0.86 | — | — | |
| SCHEMBL2916272 | 0.84 | SLC6A1 (0.33) | — | |
| SCHEMBL331464 | 0.84 | — | — | |
| SCHEMBL28348348 | 0.84 | SIGMAR1 (0.48) | — | |
| Iodide SCHEMBL9406522 | 0.84 | SLC6A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL1082281 | 0.82 | GNAO1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3666386 | 0.82 | GNAO1 (0.39) | — | |
| SCHEMBL27508329 | 0.82 | HTR2A (0.46) | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103118540-B | Pesticide containing 2, 5-diketopiperazine derivative as active ingredient | Rural Development Office (KR) | 2016-02-17 | — | — | CN | claimed |
| CN-103118540-A | Pesticide containing 2, 5-diketopiperazine derivative as active ingredient | REPUBLIC KOREA MAN RURAL DEV | 2013-05-22 | — | — | CN | claimed |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | claimed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | claimed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | claimed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | claimed |
| EP-0430847-A1 | Procedure for the preparation of N-cyclopropyl-4-fluoroanilines | CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) | 1991-06-05 | — | — | EP | claimed |
| WO-2017120164-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | Tabomedex Biosciences, LLC (US) | 2017-07-13 | — | — | WO | disclosed |
| US-20170145216-A1 | RHODAMINE-BASED COLORING COMPOSITION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-25 | — | — | US | disclosed |
| US-20170145216-A1 | RHODAMINE-BASED COLORING COMPOSITION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-25 | — | — | US | disclosed |
| US-20170137553-A1 | GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-18 | — | — | US | disclosed |
| US-20170137553-A1 | GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-18 | — | — | US | disclosed |
| EP-3165541-A1 | GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER | Wako Pure Chemical Industries, Ltd. (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-5416222-A | Chemical intermediates to prepare pyridinocarboxylic acid derivatives with high antimicrobial activity and excellent pharmacokinetics | DAIICHI SEIYAKU CO., LTD. (JP) | 1995-05-16 | — | — | US | disclosed |
| US-5380874-A | Pyrrolidine carbamates | DAIICHI SEIYAKU CO., LTD. (JP) | 1995-01-10 | — | — | US | disclosed |
| CN-1075146-A | The method for preparing antimicrobial quinolonyl lactams | PROCTER & GAMBLE PHARMA (US) | 1993-08-11 | — | — | CN | disclosed |
| EP-0207420-B1 | PYRIDONECARBOXYLIC ACID DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1992-05-06 | — | — | EP | disclosed |
| US-5098912-A | Bactericides for grampositive bacteria | DAIICHI SEIYAKU CO., LTD. (JP) | 1992-03-24 | — | — | US | disclosed |
| EP-0430847-A1 | Procedure for the preparation of N-cyclopropyl-4-fluoroanilines | CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) | 1991-06-05 | — | — | EP | disclosed |
| EP-0207420-A2 | Pyridonecarboxylic acid derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1987-01-07 | — | — | EP | disclosed |