⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10953740 | 0.86 | — | — | |
| SCHEMBL25238884 | 0.67 | — | — | |
| SCHEMBL22412156 | 0.67 | — | — | |
| SCHEMBL29191696 | 0.62 | PTGS2 (0.30) | — | |
| SCHEMBL2239498 | 0.62 | — | — | |
| SCHEMBL2702124 | 0.62 | — | — | |
| SCHEMBL25020833 | 0.60 | — | — | |
| SCHEMBL10835991 | 0.60 | HIF1A (0.33) | — | |
| SCHEMBL18808400 | 0.60 | — | — | |
| SCHEMBL5969341 | 0.59 | GRIN2D (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6071895-A | RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP | NARHEX LIMITED (HK) | 2000-06-06 | — | — | US | disclosed |
| EP-0717736-A4 | POLAR-SUBSTITUTED HYDROCARBONS | NARHEX LTD (HK) | 1996-08-28 | — | — | EP | disclosed |
| EP-0717736-A1 | POLAR-SUBSTITUTED HYDROCARBONS | NARHEX LIMITED (HK) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007269-A1 | POLAR-SUBSTITUTED HYDROCARBONS | NARHEX LIMITED (HK) | 1995-03-16 | — | — | WO | disclosed |