⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1533682 | 0.78 | — | — | |
| SCHEMBL4008375 | 0.76 | — | — | |
| SCHEMBL4237982 | 0.76 | — | — | |
| SCHEMBL770836 | 0.71 | — | — | |
| SCHEMBL18901153 | 0.71 | — | — | |
| SCHEMBL2724855 | 0.71 | — | — | |
| SCHEMBL12359888 | 0.71 | — | — | |
| SCHEMBL2170745 | 0.70 | LOXL2 (0.40) | — | |
| SCHEMBL17374883 | 0.69 | ECE1 (0.40) | — | |
| SCHEMBL4870221 | 0.68 | — | — |
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-107108598-A | Thiazoles as Ror gamma t modulators | 詹森药业有限公司 | 2017-08-29 | — | — | CN | disclosed |