⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8933469 | 0.65 | — | — | |
| SCHEMBL6211204 | 0.64 | — | — | |
| SCHEMBL7242213 | 0.63 | — | — | |
| SCHEMBL21549501 | 0.63 | — | — | |
| SCHEMBL15391854 | 0.62 | GRIA2 (0.42) | — | |
| Butane SCHEMBL3043111 | 0.56 | PRCP (0.34) | — | |
| SCHEMBL22821169 | 0.56 | — | — | |
| Butane SCHEMBL3415729 | 0.56 | PRCP (0.34) | — | |
| SCHEMBL9556059 | 0.55 | KMT2A (0.34) | — | |
| SCHEMBL27898259 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993018045-A1 | ANTI-CANCER PYRROLOBENZODIAZEPINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |