⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459530 | 0.81 | ALDH1A1 (0.59) | — | |
| SCHEMBL51610 | 0.78 | ALDH1A1 (1.00) | — | |
| SCHEMBL8868240 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL5527758 | 0.78 | ALDH1A1 (1.00) | — | |
| Water SCHEMBL9266955 | 0.76 | ALDH1A1 (0.96) | — | |
| SCHEMBL9553808 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL8866908 | 0.75 | ALDH1A1 (0.52) | — | |
| Hydroxyamine SCHEMBL2181551 | 0.74 | ALDH1A1 (0.92) | — | |
| SCHEMBL27563418 | 0.74 | ALDH1A1 (0.61) | — | |
| Acetone SCHEMBL28283082 | 0.74 | ALDH1A1 (0.92) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010527-B1 | 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON INC (CA) | 2013-08-14 | — | — | EP | disclosed |
| EP-0446913-B1 | Process for the preparation of chlorothiazole derivatives | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-06-04 | — | — | EP | disclosed |
| US-5633375-A | NONTOXIC TO HUMNAS, ANIMALS, FISH | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| US-5489603-A | CONTAINING NITROGEN HETEROCYCLIC RINGS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-02-06 | — | — | US | disclosed |
| EP-0493369-B1 | Guanidine derivatives, their production and insecticides | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-11-08 | — | — | EP | disclosed |
| EP-0665222-A1 | Guanidine derivatives, their production and insecticides | Takeda Chemical Industries, Ltd. (JP) | 1995-08-02 | — | — | EP | disclosed |
| US-5180833-A | PROCESS FOR THE PREPARATION OF CHLOROTHIAZOLE DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-19 | — | — | US | disclosed |
| EP-0493369-A1 | Guanidine derivatives, their production and insecticides | Takeda Chemical Industries, Ltd. (JP) | 1992-07-01 | — | — | EP | disclosed |
| EP-0446913-A1 | Process for the preparation of chlorothiazole derivatives | Takeda Chemical Industries, Ltd. (JP) | 1991-09-18 | — | — | EP | disclosed |
| US-5034404-A | Nitroguanidines as insecticides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-07-23 | — | — | US | disclosed |
| EP-0254859-B1 | ALKYLENE DIAMINES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1990-08-01 | — | — | EP | disclosed |
| EP-0376279-A2 | Guanidine derivatives, their production and insecticides | Takeda Chemical Industries, Ltd. (JP) | 1990-07-04 | — | — | EP | disclosed |
| US-4806553-A | Pyridyl alkylenediamine compounds insecticidal | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-02-21 | — | — | US | disclosed |
| EP-0254859-A2 | Alkylene diamines | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1988-02-03 | — | — | EP | disclosed |