⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28043076 | 0.86 | HTR1A (0.46) | — | |
| SCHEMBL28042882 | 0.84 | KDM1A (0.39) | — | |
| SCHEMBL28185057 | 0.81 | HTR1A (0.43) | — | |
| SCHEMBL28043071 | 0.70 | ABL1 (0.52) | — | |
| SCHEMBL27988602 | 0.69 | SLC6A3 (0.46) | — | |
| SCHEMBL28042885 | 0.68 | GALR2 (0.51) | — | |
| SCHEMBL28042873 | 0.66 | SCN10A (0.55) | — | |
| SCHEMBL12609919 | 0.66 | — | — | |
| SCHEMBL12609917 | 0.66 | — | — | |
| SCHEMBL5547294 | 0.66 | HTR1A (0.65) | — |
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-105143188-A | Novel sulfonamide trpa1 receptor antagonists | PHARMESTE S R L IN LIQUIDATION | 2015-12-09 | — | — | CN | disclosed |