⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27590548 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL27589792 | 0.71 | BCHE (0.33) | — | |
| SCHEMBL27488773 | 0.70 | AHR (0.35) | — | |
| SCHEMBL28485039 | 0.68 | AURKA (0.30) | — | |
| SCHEMBL27668661 | 0.67 | AHR (0.35) | — | |
| SCHEMBL27590520 | 0.63 | BRD4 (0.45) | — | |
| SCHEMBL27590553 | 0.63 | BRD4 (0.36) | — | |
| SCHEMBL27590530 | 0.61 | — | — | |
| SCHEMBL27683810 | 0.60 | ERN1 (0.32) | — | |
| SCHEMBL27590521 | 0.60 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146799-A | Cgrp-antagonists, process for their preparation as well as their use as medicaments | BOEHRINGER INGELHEIM INT (DE) | 2008-03-19 | — | — | CN | disclosed |