⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30955040 | 0.74 | — | — | |
| SCHEMBL28324778 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL7631751 | 0.67 | — | — | |
| SCHEMBL6204608 | 0.64 | — | — | |
| SCHEMBL11599245 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL10785822 | 0.59 | — | — | |
| SCHEMBL16937205 | 0.56 | — | — | |
| SCHEMBL1707628 | 0.56 | BACE1 (0.32) | — | |
| SCHEMBL6518403 | 0.51 | — | — | |
| SCHEMBL5796965 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024140687-A1 | S1PR2 REGULATOR AND USE THEREOF | 北京昌平实验室 | 2024-07-04 | — | — | WO | disclosed |
| CN-118255830-A | S1PR2 modulators and uses thereof | 北京昌平实验室 | 2024-06-28 | — | — | CN | disclosed |