⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5745528 | 1.00 | — | — | |
| SCHEMBL27552624 | 0.83 | S1PR4 (0.34) | — | |
| SCHEMBL13117471 | 0.77 | — | — | |
| SCHEMBL29026954 | 0.77 | LOXL2 (0.52) | — | |
| SCHEMBL7609085 | 0.76 | ERN1 (0.38) | — | |
| SCHEMBL986987 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL12519534 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL24766044 | 0.73 | — | — | |
| SCHEMBL1094456 | 0.73 | — | — | |
| SCHEMBL5700538 | 0.73 | — | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |