⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7660788 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL5544263 | 0.79 | — | — | |
| SCHEMBL5544449 | 0.77 | MCL1 (0.30) | — | |
| SCHEMBL5536206 | 0.76 | HTR1B (0.31) | — | |
| SCHEMBL5537180 | 0.75 | — | — | |
| SCHEMBL9852786 | 0.75 | CYP2A6 (0.34) | — | |
| SCHEMBL9572752 | 0.75 | CYP2A6 (0.44) | — | |
| SCHEMBL5541568 | 0.74 | CNR2 (0.31) | — | |
| SCHEMBL5540444 | 0.74 | CNR2 (0.31) | — | |
| SCHEMBL8192437 | 0.74 | CA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417454-A2 | Reduced size LHRH analogs | ABBOTT LABORATORIES (US) | 1991-03-20 | — | — | EP | claimed |