⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28091484 | 0.75 | — | — | |
| SCHEMBL26049363 | 0.70 | — | — | |
| SCHEMBL28856887 | 0.66 | CA12 (0.35) | — | |
| SCHEMBL9975648 | 0.64 | — | — | |
| SCHEMBL12997264 | 0.63 | PLA2G1B (0.32) | — | |
| SCHEMBL29270390 | 0.63 | — | — | |
| SCHEMBL27209741 | 0.63 | — | — | |
| SCHEMBL8431427 | 0.63 | — | — | |
| SCHEMBL29123362 | 0.62 | — | — | |
| SCHEMBL11399547 | 0.62 | — | — |
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-108814998-B | A kind of preparation method of the hair dye based on graphene | 福建拓烯新材料科技有限公司 | 2019-12-03 | — | — | CN | claimed |
| CN-108814998-A | A kind of preparation method of the hair dye based on graphene | 福建拓烯新材料科技有限公司 | 2018-11-16 | — | — | CN | claimed |