⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28101526 | 0.83 | CHRM2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28528599 | 0.81 | CHRM2 (0.33) | — | |
| SCHEMBL26094335 | 0.79 | ENO1 (0.32) | — | |
| SCHEMBL26094973 | 0.79 | ENO1 (0.32) | — | |
| SCHEMBL28853721 | 0.79 | — | — | |
| SCHEMBL26628945 | 0.79 | ENO1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28782905 | 0.78 | ENO1 (0.32) | — | |
| SCHEMBL20919348 | 0.75 | — | — | |
| SCHEMBL2421427 | 0.74 | — | — | |
| SCHEMBL27838138 | 0.74 | HPGD (0.32) | — |
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-102471266-A | Process for producing optically active compound | SUMITOMO CHEMICAL CO | 2012-05-23 | — | — | CN | claimed |
| CN-102471266-A | Process for producing optically active compound | SUMITOMO CHEMICAL CO | 2012-05-23 | — | — | CN | disclosed |