⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16670851 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL104266 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL18388356 | 0.71 | CA12 (0.43) | — | |
| SCHEMBL1863804 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL11747348 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL14759451 | 0.68 | CHRNB2 (0.41) | — | |
| SCHEMBL8455989 | 0.68 | CHRNB2 (0.41) | — | |
| SCHEMBL10087914 | 0.67 | CA2 (0.40) | — | |
| SCHEMBL178738 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL10369020 | 0.66 | MAPT (0.33) | — |
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-6448412-B1 | COMBINATORIAL CHEMISTRY LIBRARIES | SPHERE BIOSYSTEMS, INC. | 2002-09-10 | — | — | US | disclosed |
| US-6399785-B1 | BIOSYNTHESIS; LIBRARY OF COMPOUNDS; DRUGS | C-SIXTY, INC. (CA) | 2002-06-04 | — | — | US | disclosed |
| US-6162926-A | Multi-substituted fullerenes and methods for their preparation and characterization | SPHERE BIOSYSTEMS, INC. (US) | 2000-12-19 | — | — | US | disclosed |
| WO-1996036631-A1 | MULTIPLY-SUBSTITUTED FULLERENES AND METHODS FOR THEIR PREPARATION AND CHARACTERIZATION | SPHERE BIOSYSTEMS, INC. (US) | 1996-11-21 | — | — | WO | disclosed |