⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4447233 | 0.61 | MAPT (0.40) | — | |
| SCHEMBL6545414 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL6537805 | 0.60 | KDM4E (0.36) | — | |
| SCHEMBL9549529 | 0.60 | CA1 (0.33) | — | |
| SCHEMBL28240050 | 0.58 | KDM4E (0.31) | — | |
| SCHEMBL27559720 | 0.57 | ATM (0.39) | — | |
| SCHEMBL23092289 | 0.57 | CACNB4 (0.33) | — | |
| SCHEMBL2826156 | 0.56 | MAPT (0.42) | — | |
| SCHEMBL1651970 | 0.56 | MAPT (0.42) | — | |
| SCHEMBL6544863 | 0.56 | KDM4E (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0502723-B1 | Water-soluble tetraazaporphins and fluorochrome for labeling | HITACHI CHEMICAL CO LTD (JP) | 1996-10-09 | — | — | EP | disclosed |
| US-5438135-A | Fluorescence analysis | HITACHI CHEMICAL COMPANY (JP) | 1995-08-01 | — | — | US | disclosed |
| EP-0502723-A2 | Water-soluble tetraazaporphins and fluorochrome for labeling | HITACHI CHEMICAL CO., LTD. (JP) | 1992-09-09 | — | — | EP | disclosed |