⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21062368 | 0.74 | — | — | |
| SCHEMBL339412 | 0.68 | GRIN2D (0.46) | — | |
| SCHEMBL5965360 | 0.65 | GAA (0.42) | — | |
| SCHEMBL21096356 | 0.63 | — | — | |
| SCHEMBL2362303 | 0.63 | — | — | |
| SCHEMBL25020833 | 0.63 | — | — | |
| SCHEMBL8074566 | 0.60 | — | — | |
| SCHEMBL20785243 | 0.59 | — | — | |
| SCHEMBL25238884 | 0.59 | — | — | |
| SCHEMBL25304511 | 0.58 | MEN1 (0.33) | — |
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 |