⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3878023 | 0.98 | OPRM1 (0.48) | — | |
| SCHEMBL17508101 | 0.87 | OPRM1 (0.50) | — | |
| SCHEMBL14163256 | 0.87 | CYP2C19 (0.58) | — | |
| SCHEMBL10045255 | 0.86 | CYP2C19 (0.59) | — | |
| SCHEMBL7879498 | 0.84 | — | — | |
| SCHEMBL12526924 | 0.84 | — | — | |
| SCHEMBL16208729 | 0.83 | OPRM1 (0.54) | — | |
| SCHEMBL344055 | 0.82 | OPRM1 (0.46) | — | |
| SCHEMBL28855125 | 0.80 | OPRM1 (0.44) | — | |
| Lithium Ion SCHEMBL1459566 | 0.79 | OPRM1 (0.50) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1592624-A | Substituted-triazolopyrimidines as anticancer agents | WYETH CORP (US) | 2005-03-09 | — | — | CN | claimed |
| CN-114560847-A | Chloroquine photoaffinity molecular probe and preparation method and application thereof | 中国中医科学院中药研究所 | 2022-05-31 | — | — | CN | disclosed |
| EP-1590338-B1 | MODULATORS OF MELANOCORTIN RECEPTOR | ORE PHARMACEUTICALS INC (US) | 2009-08-26 | — | — | EP | disclosed |
| CN-1592624-A | Substituted-triazolopyrimidines as anticancer agents | WYETH CORP (US) | 2005-03-09 | — | — | CN | disclosed |
| US-5415785-A | Scavenging with a reactive amine-formaldehyde reaction product | NALCO CHEMICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| US-5387393-A | Using amine-aldehyde reaction product | NALCO CHEMICAL COMPANY (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0409386-B1 | ANTIFOULANT COMPOSITIONS AND METHODS | PETROLITE CORPORATION (US) | 1993-08-04 | — | — | EP | disclosed |
| EP-0409386-A1 | Antifoulant compositions and methods | PETROLITE CORPORATION (US) | 1991-01-23 | — | — | EP | disclosed |
| US-4900427-A | Antifoulant compositions and methods | PETROLITE CORPORATION (US) | 1990-02-13 | — | — | US | disclosed |
| US-4166726-A | Diesel fuel containing polyalkylene amine and Mannich base | CHEVRON RESEARCH COMPANY (US) | 1979-09-04 | — | — | US | disclosed |