⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5704607 | 1.00 | — | — | |
| SCHEMBL356230 | 0.80 | — | — | |
| SCHEMBL13373237 | 0.76 | — | — | |
| SCHEMBL9113080 | 0.71 | — | — | |
| SCHEMBL13679595 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL194822 | 0.70 | — | — | |
| SCHEMBL15765095 | 0.70 | HCAR2 (0.48) | — | |
| SCHEMBL30679302 | 0.70 | — | — | |
| SCHEMBL27390227 | 0.69 | HCAR2 (0.32) | — | |
| SCHEMBL11323064 | 0.66 | TRPA1 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097925-B1 | NOVEL BENZOIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NIPPON SODA CO (JP) | 2006-09-13 | — | — | EP | disclosed |
| US-6756497-B1 | REACTING SUBSTITUTED BICYCLOHEPTENONE WITH ALKALI METAL ALKOXIDE OR ALKALI METAL OR ALKALINE EARTH METAL HYDROXIDE AND WATER OR METHANOL, ETHANOL, PROPANOL, ISOPROPANOL, BUTANOL OR TERT-BUTANOL IN LISTED ALCOHOLS OR TETRAHYDROFURAN AS SOLVENT | NIPPON SODA CO., LTD. (JP) | 2004-06-29 | — | — | US | disclosed |
| EP-1097925-A1 | NOVEL BENZOIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NIPPON SODA CO., LTD. (JP) | 2001-05-09 | — | — | EP | disclosed |
| JP-2000229955-A | 5-AMINOISOXAZOLYLISOXAZOLE AND ITS PRODUCTION | NIPPON SODA CO LTD | 2000-08-22 | — | — | JP | disclosed |