⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6026437 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL14719770 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL1449843 | 0.67 | — | — | |
| SCHEMBL9242372 | 0.67 | — | — | |
| SCHEMBL24832 | 0.64 | — | — | |
| Nitric Acid SCHEMBL28738486 | 0.64 | CA5A (0.42) | — | |
| SCHEMBL10939433 | 0.62 | — | — | |
| SCHEMBL27533732 | 0.61 | — | — | |
| Nitric Acid SCHEMBL23277223 | 0.60 | CA5A (0.38) | — | |
| Nitric Acid SCHEMBL27980295 | 0.60 | CA5A (0.38) | — |
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-6525059-B1 | Mitogen-activated protein kinases (MAP); | G. D. SEARLE & COMPANY | 2003-02-25 | — | — | US | disclosed |