⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL948604 | 0.81 | — | — | |
| SCHEMBL17740074 | 0.73 | — | — | |
| SCHEMBL327866 | 0.73 | — | — | |
| SCHEMBL17953618 | 0.71 | — | — | |
| SCHEMBL17286045 | 0.71 | — | — | |
| SCHEMBL20061734 | 0.69 | — | — | |
| SCHEMBL11461222 | 0.69 | — | — | |
| SCHEMBL17346366 | 0.69 | — | — | |
| SCHEMBL13841115 | 0.69 | — | — | |
| SCHEMBL7162562 | 0.69 | — | — |
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-2015095301-A2 | CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF | IRM LLC (BM) | 2015-06-25 | — | — | WO | disclosed |
| US-20070054915-A1 | p38 MAP kinase inhibitors and methods for using the same | ROCHE PALO ALTO LLC | 2007-03-08 | — | — | US | disclosed |