⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4195298 | 0.81 | — | — | |
| SCHEMBL2544414 | 0.65 | — | — | |
| SCHEMBL5853434 | 0.65 | — | — | |
| SCHEMBL3596270 | 0.60 | MEN1 (0.40) | — | |
| SCHEMBL28288720 | 0.60 | — | — | |
| SCHEMBL28827257 | 0.60 | NFKB1 (0.32) | — | |
| SCHEMBL3605445 | 0.60 | — | — | |
| SCHEMBL15984523 | 0.58 | — | — | |
| SCHEMBL8489724 | 0.57 | — | — | |
| SCHEMBL16897470 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | claimed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | claimed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | disclosed |