⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8611946 | 0.76 | GAA (0.30) | — | |
| SCHEMBL486381 | 0.74 | — | — | |
| SCHEMBL15741864 | 0.71 | — | — | |
| SCHEMBL11659512 | 0.71 | GAA (0.33) | — | |
| SCHEMBL4610432 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL18286133 | 0.59 | — | — | |
| Hexane SCHEMBL28020431 | 0.55 | ALOX15 (0.57) | — | |
| Pentane SCHEMBL28287483 | 0.55 | — | — | |
| SCHEMBL29755154 | 0.55 | CA1 (0.34) | — | |
| Dodecane SCHEMBL10431812 | 0.53 | CES2 (0.55) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910274-A1 | PHENYL COMPOUNDS | Eli Lilly and Company (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007015807-A1 | PHENYL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2007-02-08 | — | — | WO | disclosed |