⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8700561 | 0.89 | — | — | |
| SCHEMBL8702736 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL8008687 | 0.70 | LDHA (0.41) | — | |
| SCHEMBL7758845 | 0.70 | LDHA (0.48) | — | |
| SCHEMBL8010782 | 0.63 | LDHA (0.38) | — | |
| SCHEMBL7074874 | 0.63 | KDM4E (0.35) | — | |
| SCHEMBL8010721 | 0.63 | LDHA (0.37) | — | |
| SCHEMBL8007680 | 0.63 | LDHA (0.37) | — | |
| SCHEMBL8011472 | 0.59 | LDHA (0.47) | — | |
| SCHEMBL7998725 | 0.59 | LDHA (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | claimed |
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | disclosed |