⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28032044 | 0.80 | NCF1 (0.33) | — | |
| SCHEMBL27892417 | 0.76 | ENO1 (0.34) | — | |
| SCHEMBL27637917 | 0.75 | GNAI3 (0.34) | — | |
| SCHEMBL28065027 | 0.75 | RIPK1 (0.50) | — | |
| SCHEMBL27630857 | 0.75 | HPGD (0.38) | — | |
| SCHEMBL27733586 | 0.73 | HRH2 (0.31) | — | |
| SCHEMBL27713182 | 0.73 | HRH2 (0.31) | — | |
| SCHEMBL27720226 | 0.73 | HRH2 (0.31) | — | |
| SCHEMBL28051067 | 0.71 | ENO1 (0.33) | — | |
| SCHEMBL28856036 | 0.70 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061969-B | TRPA1 regulator | ALGOMEDIX, INC. (US) | 2019-10-29 | — | — | CN | disclosed |
| CN-106061969-A | TRPA1 modulators | 阿尔戈么迪克斯有限公司 | 2016-10-26 | — | — | CN | disclosed |