⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL931673 | 1.00 | — | — | |
| SCHEMBL8364130 | 0.77 | — | — | |
| SCHEMBL9398782 | 0.75 | — | — | |
| SCHEMBL539353 | 0.75 | — | — | |
| SCHEMBL29864869 | 0.75 | — | — | |
| SCHEMBL23775550 | 0.75 | — | — | |
| SCHEMBL1730691 | 0.75 | — | — | |
| SCHEMBL3511776 | 0.75 | — | — | |
| SCHEMBL29448832 | 0.75 | ALDH1A1 (0.55) | — | |
| SCHEMBL26450921 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436919-B1 | LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS | THERAVANCE INC. | 2002-08-20 | — | — | US | disclosed |
| EP-1216243-A1 | QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS | Advanced Medicine, Inc. (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001025234-A1 | QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS | ADVANCED MEDICINE, INC. (US) | 2001-04-12 | — | — | WO | disclosed |