⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28829680 | 0.69 | — | — | |
| SCHEMBL27509735 | 0.69 | — | — | |
| SCHEMBL29033043 | 0.66 | — | — | |
| SCHEMBL11058823 | 0.64 | — | — | |
| SCHEMBL16160994 | 0.59 | — | — | |
| SCHEMBL2357367 | 0.59 | — | — | |
| SCHEMBL6666128 | 0.59 | — | — | |
| SCHEMBL24243502 | 0.56 | — | — | |
| SCHEMBL7626474 | 0.56 | — | — | |
| SCHEMBL6915854 | 0.54 | — | — |
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-118853217-A | Coal tar processing method | 中国石油化工股份有限公司 | 2024-10-29 | — | — | CN | disclosed |