⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10383779 | 0.77 | CA2 (0.35) | — | |
| SCHEMBL11461347 | 0.73 | IMPDH2 (0.41) | — | |
| SCHEMBL11461346 | 0.73 | IMPDH2 (0.41) | — | |
| SCHEMBL11702861 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL11704397 | 0.73 | IAPP (0.33) | — | |
| SCHEMBL11706514 | 0.71 | CA2 (0.31) | — | |
| SCHEMBL8843140 | 0.71 | IMPDH2 (0.36) | — | |
| SCHEMBL11703549 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL11705121 | 0.68 | NPC1 (0.42) | — | |
| SCHEMBL9507056 | 0.67 | LMNA (0.44) | — |
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-4192816-A | Mixtures of 3-pentenenitriles and 3-methylene-pentanenitriles | HOFFMANN-LA ROCHE INC. (US) | 1980-03-11 | — | — | US | claimed |
| US-4208333-A | Preparation of chroman-2-acetic acids | HOFFMANN-LA ROCHE INC. (US) | 1980-06-17 | — | — | US | disclosed |
| US-4192816-A | Mixtures of 3-pentenenitriles and 3-methylene-pentanenitriles | HOFFMANN-LA ROCHE INC. (US) | 1980-03-11 | — | — | US | disclosed |
| US-4186138-A | Preparation of chroman-2-acetic acids | HOFFMANN-LA ROCHE INC. (US) | 1980-01-29 | — | — | US | disclosed |