⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17479245 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL17479248 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL18984779 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL7792866 | 1.00 | — | — | |
| SCHEMBL27902632 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL4465892 | 0.97 | — | — | |
| SCHEMBL5245514 | 0.97 | — | — | |
| SCHEMBL456278 | 0.97 | — | — | |
| SCHEMBL28141269 | 0.89 | FAAH (0.50) | — | |
| SCHEMBL6401130 | 0.88 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150715-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NICOTINE OR A LIGAND OF NICOTINE RECEPTORS AND A MONAMINE OXYDASE INHIBITOR AND THEIR USE FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS | SANOFI-SYNTHELABO (FR) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000045846-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NICOTINE OR A LIGAND OF NICOTINE RECEPTORS AND A MONAMINE OXYDASE INHIBITOR AND THEIR USE FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS | SANOFI-SYNTHELABO (FR) | 2000-08-10 | — | — | WO | disclosed |
| US-5763189-A | Fluorescence energy transfer and intramolecular energy transfer in particles using novel compounds | BIOSITE DIAGNOSTICS INCORPORATED (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0670041-A4 | FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS. | BIOSITE DIAGNOSTICS INC (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0670041-A1 | FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS | BIOSITE DIAGNOSTICS INC. (US) | 1995-09-06 | — | — | EP | disclosed |
| WO-1995008772-A1 | FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS | BIOSITE DIAGNOSTICS INCORPORATED (US) | 1995-03-30 | — | — | WO | disclosed |