⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28420096 | 0.71 | — | — | |
| SCHEMBL1932069 | 0.67 | — | — | |
| SCHEMBL29128612 | 0.64 | — | — | |
| SCHEMBL1066777 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL30384439 | 0.64 | — | — | |
| SCHEMBL29128534 | 0.64 | — | — | |
| SCHEMBL7932988 | 0.64 | — | — | |
| Potassium SCHEMBL29728432 | 0.61 | — | — | |
| SCHEMBL7779550 | 0.58 | — | — | |
| Cyanate SCHEMBL20582573 | 0.52 | — | — |
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-6319947-B1 | INCLUDING VANADOCENE DI-PSEUDOHALIDES SUCH AS DIAZIDE, DICYANIDE, DIOXYCYANATE, DITHIOCYANATE, OR DISELENOCYANATE. | PARKER HUGHES INSTITUTE | 2001-11-20 | — | — | US | claimed |
| EP-1996205-A2 | SYNTHETIC PENTACYCLIC TRITERPENOIDS AND DERIVATIVES OF BETULINIC ACID AND BETULIN | Advanced Life Sciences Inc. (US) | 2008-12-03 | — | — | EP | disclosed |
| US-20070232577-A1 | Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin | ADVANCED LIFE SCIENCES, INC. (US) | 2007-10-04 | — | — | US | disclosed |
| WO-2007112043-A2 | SYNTHETIC PENTACYCLIC TRITERPENOIDS AND DERIVATIVES OF BETULINIC ACID AND BETULIN | ADVANCED LIFE SCIENCES INC. (US) | 2007-10-04 | — | — | WO | disclosed |