⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11575377 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL10484218 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL10484236 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL10899437 | 0.74 | — | — | |
| SCHEMBL10484037 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL11575215 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL9460690 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL5597698 | 0.70 | — | — | |
| Nitric Acid SCHEMBL8584436 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL1702973 | 0.70 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0366457-B1 | Germicidal composition | SOMAR CORP (JP) | 1994-06-15 | — | — | EP | claimed |
| US-5013755-A | Tribromoacetoxypropane, a nitro alcohol, and dibromocyanoacetamide, synergistic | SOMAR CORPORATION (JP) | 1991-05-07 | — | — | US | claimed |
| EP-0366457-A2 | Germicidal composition | SOMAR CORPORATION (JP) | 1990-05-02 | — | — | EP | claimed |
| EP-0648415-B1 | Clathrate compound including water-soluble microbicide | KURITA WATER IND LTD (JP) | 1998-12-02 | — | — | EP | disclosed |
| US-5523020-A | COMPRISING 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE AND A PHENOLIC COMPOUND | KURITA WATER INDUSTRIES LTD. (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0648415-A2 | Clathrate compound including water-soluble microbicide | KURITA WATER INDUSTRIES LTD. (JP) | 1995-04-19 | — | — | EP | disclosed |
| EP-0366457-B1 | Germicidal composition | SOMAR CORP (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-5013755-A | Tribromoacetoxypropane, a nitro alcohol, and dibromocyanoacetamide, synergistic | SOMAR CORPORATION (JP) | 1991-05-07 | — | — | US | disclosed |
| EP-0366457-A2 | Germicidal composition | SOMAR CORPORATION (JP) | 1990-05-02 | — | — | EP | disclosed |