⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24343760 | 0.85 | MAPT (0.35) | — | |
| SCHEMBL28230574 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL13210350 | 0.81 | TSHR (0.36) | — | |
| Water SCHEMBL28694448 | 0.80 | MAPT (0.32) | — | |
| SCHEMBL9328691 | 0.80 | — | — | |
| SCHEMBL7526061 | 0.79 | THRB (0.39) | — | |
| Hydrochloric Acid SCHEMBL10333402 | 0.78 | THRB (0.35) | — | |
| SCHEMBL5948490 | 0.77 | — | — | |
| SCHEMBL19397678 | 0.77 | — | — | |
| SCHEMBL18806384 | 0.77 | — | — |
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-2017103824-A1 | TRICYCLIC COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-06-22 | — | — | WO | disclosed |
| CN-106317369-A | Aqueous polyurethane resin dispersion and use thereof | 宇部兴产株式会社 | 2017-01-11 | — | — | CN | disclosed |