⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL5489282 | 1.00 | — | — | |
| Bicarbonate SCHEMBL8419166 | 0.93 | ACHE (0.40) | — | |
| SCHEMBL6328814 | 0.91 | LMNA (0.50) | — | |
| SCHEMBL4395 | 0.91 | — | — | |
| Phosphine SCHEMBL3417770 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28286260 | 0.87 | — | — | |
| SCHEMBL28555068 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL989724 | 0.87 | — | — | |
| Water SCHEMBL7434763 | 0.87 | — | — | |
| Bromide SCHEMBL5485388 | 0.87 | — | — |
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-20030008922-A1 | Multiple drug resistance reversal agent | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-01-09 | — | — | US | disclosed |
| EP-1272202-A1 | MULTIPLE DRUG RESISTANCE REVERSAL AGENT | Brigham Young University (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001060387-A1 | MULTIPLE DRUG RESISTANCE REVERSAL AGENT | BRIGHAM YOUNG UNIVERSITY (US) | 2001-08-23 | — | — | WO | disclosed |
| EP-0648794-B1 | A resinous composition for a water paint | KANSAI PAINT CO LTD (JP) | 1998-08-26 | — | — | EP | disclosed |