⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7738326 | 0.78 | — | — | |
| SCHEMBL5928898 | 0.77 | CA12 (0.48) | — | |
| SCHEMBL8274668 | 0.74 | — | — | |
| SCHEMBL7320394 | 0.74 | CA12 (0.46) | — | |
| SCHEMBL14223425 | 0.73 | — | — | |
| SCHEMBL25118514 | 0.72 | — | — | |
| SCHEMBL14525969 | 0.72 | — | — | |
| SCHEMBL8252369 | 0.72 | — | — | |
| SCHEMBL11843273 | 0.72 | — | — | |
| SCHEMBL8702 | 0.72 | — | — |
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-2010074588-A2 | PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & Cª, S.A. (PT) | 2010-07-01 | — | — | WO | disclosed |
| EP-1682506-B1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMA (US) | 2009-12-30 | — | — | EP | disclosed |