⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2815641 | 0.80 | — | — | |
| SCHEMBL4873527 | 0.80 | TRPA1 (0.72) | — | |
| SCHEMBL33721 | 0.80 | — | — | |
| SCHEMBL2523938 | 0.78 | — | — | |
| Formaldehyde SCHEMBL9393871 | 0.78 | TRPA1 (0.62) | — | |
| SCHEMBL30632314 | 0.77 | TRPA1 (0.68) | — | |
| Potassium SCHEMBL30632313 | 0.77 | TRPA1 (0.68) | — | |
| SCHEMBL29085428 | 0.77 | TRPA1 (0.68) | — | |
| Hydrochloric Acid SCHEMBL7792394 | 0.77 | TRPA1 (0.68) | — | |
| SCHEMBL9854610 | 0.76 | TRPA1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884442-A | Tetrazolinone compound and applications thereof | SUMITOMO CHEMICAL CO | 2015-09-02 | — | — | CN | disclosed |
| US-6291432-B1 | (R)-N-(2-METHYLBENZYL)-3-((2S, 3S)-3-(N-(2-CHROMONECARBONYL)-L-ASPARAGINYL)AMINO-2-HYDROXY-4-PHENYLBUTANO YL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE CAN BE GIVEN AS A TYPICAL EXAMPLE OF THIS COMPOUND. | JAPAN ENERGY CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0900566-A1 | NOVEL TRIPEPTIDE COMPOUNDS AND ANTI-AIDS DRUGS | JAPAN ENERGY CORPORATION (JP) | 1999-03-10 | — | — | EP | disclosed |
| EP-0757692-A1 | METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-12 | — | — | EP | disclosed |