⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2603155 | 0.75 | PTGS2 (0.33) | — | |
| SCHEMBL12394128 | 0.72 | PTGS2 (0.30) | — | |
| SCHEMBL14033957 | 0.61 | — | — | |
| SCHEMBL14033617 | 0.61 | NR1H2 (0.31) | — | |
| SCHEMBL12394153 | 0.59 | — | — | |
| SCHEMBL12394130 | 0.58 | — | — | |
| SCHEMBL2728471 | 0.57 | — | — | |
| SCHEMBL14620182 | 0.56 | KMT2A (0.41) | — | |
| SCHEMBL369355 | 0.56 | — | — | |
| SCHEMBL16480076 | 0.55 | CRBN (0.58) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070100135-A1 | Process for the preparation of furopyrroles | CIBA SPECIALTY CHEMICALS CORPORATION | 2007-05-03 | — | — | US | disclosed |