⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4951490 | 0.80 | — | — | |
| SCHEMBL17867170 | 0.80 | — | — | |
| SCHEMBL14602606 | 0.80 | — | — | |
| SCHEMBL3797671 | 0.80 | — | — | |
| SCHEMBL346603 | 0.80 | — | — | |
| SCHEMBL21594809 | 0.80 | — | — | |
| SCHEMBL8673229 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL22673468 | 0.79 | MAPK1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL20450637 | 0.78 | TSHR (0.52) | — | |
| SCHEMBL11695445 | 0.76 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120005137-A | Microcapsule closed type polybasic isocyanate, medium, grating and preparation method and equipment | 珠海莫界科技有限公司 | 2025-05-16 | — | — | CN | claimed |
| CN-120005137-A | Microcapsule closed type polybasic isocyanate, medium, grating and preparation method and equipment | 珠海莫界科技有限公司 | 2025-05-16 | — | — | CN | disclosed |
| US-7833289-B1 | Hair care component and method of manufacture for use in a hair coloring system | Alterna Holdings Corporation (US) | 2010-11-16 | — | — | US | disclosed |
| US-20070108405-A1 | Compositions and methods for delivery of biologically active agents | FH FAULDING & CO., LTD. (AU) | 2007-05-17 | — | — | US | disclosed |