⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20457 | 0.94 | — | — | |
| SCHEMBL28411184 | 0.90 | — | — | |
| SCHEMBL28099655 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28914936 | 0.90 | — | — | |
| SCHEMBL27670706 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL6738777 | 0.90 | — | — | |
| Hydroxyl Radical SCHEMBL28097494 | 0.90 | — | — | |
| Acetic Acid SCHEMBL27736667 | 0.88 | CRBN (0.39) | — | |
| Hydrochloric Acid SCHEMBL27888557 | 0.88 | — | — | |
| Benzene SCHEMBL27335460 | 0.85 | TSHR (0.35) | — |
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-104487405-B | Lignin base multipurpose fertilizer | 英派尔科技开发有限公司 | 2016-08-24 | — | — | CN | claimed |