⚠ 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 | |
|---|---|---|---|---|
| Guanidine SCHEMBL9173146 | 0.71 | CYP2C19 (0.37) | — | |
| SCHEMBL1828677 | 0.67 | — | — | |
| SCHEMBL4089430 | 0.67 | — | — | |
| SCHEMBL540840 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2368927 | 0.65 | — | — | |
| SCHEMBL29693022 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL7285732 | 0.65 | — | — | |
| SCHEMBL7285806 | 0.65 | — | — | |
| SCHEMBL9200904 | 0.65 | — | — | |
| SCHEMBL11629430 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7642350-B2 | Purine derivatives | PFIZER LIMITED (GB) | 2010-01-05 | — | — | US | disclosed |
| EP-1888587-A1 | 2-AMIDO-6-AMINO-8-OXOPURINE DERIVATIVES AS TOLL-LIKE RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS, SUCH AS HEPATITIS C | Pfizer Limited (GB) | 2008-02-20 | — | — | EP | disclosed |
| US-20060264448-A1 | Purine derivatives | PFIZER LIMITED | 2006-11-23 | — | — | US | disclosed |
| WO-2006117670-A1 | 2-AMIDO-6-AMINO-8-OXOPURINE DERIVATIVES AS TOLL-LIKE RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS, SUCH AS HEPATITIS C | PFIZER LIMITED (GB) | 2006-11-09 | — | — | WO | disclosed |
| US-4228290-A | HERBICIDES | OLIN CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |
| US-4207090-A | Amino ester derivatives of 3-trihalomethyl-1,2,4-thiadiazoles and their use as herbicides | OLIN CORPORATION (US) | 1980-06-10 | — | — | US | disclosed |
| US-4107377-A | Process for producing 3-trichloromethyl-5-loweralkylamino-1,2,4-thiadiazole | OLIN CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |