⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27863967 | 0.77 | — | — | |
| SCHEMBL854974 | 0.75 | — | — | |
| SCHEMBL1166831 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL855655 | 0.75 | CYP2A6 (0.30) | — | |
| SCHEMBL15103630 | 0.75 | KAT2B (0.32) | — | |
| SCHEMBL14279802 | 0.72 | SLC6A3 (0.36) | — | |
| SCHEMBL1705840 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL18641539 | 0.70 | CYP1A2 (0.40) | — | |
| SCHEMBL21273270 | 0.69 | PDE10A (0.31) | — | |
| SCHEMBL17080194 | 0.69 | KAT2B (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-102414168-B | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD | 2014-05-21 | — | — | CN | disclosed |