⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12468485 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL12468470 | 0.74 | GAA (0.31) | — | |
| SCHEMBL5654698 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL12468481 | 0.70 | — | — | |
| SCHEMBL275321 | 0.64 | HDAC3 (0.36) | — | |
| SCHEMBL5915087 | 0.64 | HDAC3 (0.36) | — | |
| SCHEMBL972409 | 0.63 | — | — | |
| SCHEMBL14889184 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL2041571 | 0.61 | KDM4E (0.42) | — | |
| Octane SCHEMBL1164389 | 0.61 | HDAC1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012049167-A1 | NOVEL OLIGOTHIOPHENE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USES | UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) | 2012-04-19 | — | — | WO | claimed |
| WO-2012049167-A1 | NOVEL OLIGOTHIOPHENE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USES | UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) | 2012-04-19 | — | — | WO | disclosed |