⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21709214 | 0.85 | — | — | |
| SCHEMBL21708884 | 0.81 | — | — | |
| SCHEMBL21708881 | 0.81 | MAOA (0.33) | — | |
| SCHEMBL21708869 | 0.78 | TDP1 (0.49) | — | |
| SCHEMBL21709149 | 0.77 | ADRB2 (0.33) | — | |
| SCHEMBL21709213 | 0.75 | MAOB (0.30) | — | |
| SCHEMBL21709086 | 0.74 | HTR2A (0.33) | — | |
| SCHEMBL21709245 | 0.71 | P2RX3 (0.31) | — | |
| SCHEMBL21709055 | 0.70 | NFKB1 (0.41) | — | |
| SCHEMBL21708928 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |