⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7177724 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL11070461 | 0.70 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7717766 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL8005371 | 0.65 | — | — | |
| Bromide SCHEMBL29011443 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL20656 | 0.62 | TSHR (0.43) | — | |
| SCHEMBL27551504 | 0.62 | TSHR (0.43) | — | |
| SCHEMBL7549527 | 0.62 | TSHR (0.43) | — | |
| SCHEMBL2365396 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL20494142 | 0.60 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| US-6376230-B1 | Stereoselective process for producing intermediates of cryptophycins | ELI LILLY AND COMPANY | 2002-04-23 | — | — | US | disclosed |