⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5928898 | 0.79 | CA12 (0.48) | — | |
| SCHEMBL18288193 | 0.74 | — | — | |
| SCHEMBL8252369 | 0.74 | — | — | |
| SCHEMBL7898099 | 0.74 | — | — | |
| SCHEMBL14525969 | 0.74 | — | — | |
| SCHEMBL24117660 | 0.74 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL12879909 | 0.74 | SMN1; SMN2 (0.48) | — | |
| Benzene SCHEMBL28280358 | 0.74 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL12812372 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL5461295 | 0.71 | CA12 (0.52) | — |
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-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2005116009-A1 | SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS | SCHERING CORPORATION (US) | 2005-12-08 | — | — | WO | disclosed |