⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28524750 | 0.79 | — | — | |
| SCHEMBL28561115 | 0.74 | — | — | |
| SCHEMBL27577250 | 0.73 | — | — | |
| SCHEMBL28007103 | 0.73 | — | — | |
| SCHEMBL28064401 | 0.73 | — | — | |
| SCHEMBL4266501 | 0.68 | MAOA (0.33) | — | |
| SCHEMBL27685392 | 0.67 | — | — | |
| SCHEMBL27915938 | 0.66 | CHRM2 (0.30) | — | |
| SCHEMBL11019128 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL17532797 | 0.64 | — | — |
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-108003085-A | A kind of synthetic method of pharmaceutical intermediate sweet-smelling formacyl indole derivatives | 张开良 | 2018-05-08 | — | — | CN | disclosed |