⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96570 | 0.97 | — | — | |
| Methane SCHEMBL27649412 | 0.93 | — | — | |
| Phosphine SCHEMBL27467663 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1819561 | 0.93 | — | — | |
| Bromide SCHEMBL31349334 | 0.93 | — | — | |
| SCHEMBL28232105 | 0.93 | — | — | |
| Water SCHEMBL27744505 | 0.93 | — | — | |
| Fluoride SCHEMBL28353010 | 0.93 | — | — | |
| SCHEMBL28125153 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL23295749 | 0.90 | ALDH1A1 (0.47) | — |
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-208726777-U | A kind of rectifier unit being used to prepare o-chloraniline | 淮北市星光新材料科技有限公司 | 2019-04-12 | — | — | CN | disclosed |