⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17002465 | 1.00 | CYP2D6 (0.41) | — | |
| SCHEMBL15594589 | 1.00 | CYP2D6 (0.41) | — | |
| SCHEMBL15630429 | 1.00 | CYP2D6 (0.41) | — | |
| SCHEMBL17002464 | 1.00 | CYP2D6 (0.41) | — | |
| SCHEMBL28425745 | 0.97 | — | — | |
| SCHEMBL2004307 | 0.97 | — | — | |
| SCHEMBL6826526 | 0.88 | — | — | |
| SCHEMBL15715828 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL3094274 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL18526481 | 0.69 | ALDH1A1 (0.39) | — |
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-105936638-A | Porphyrin compound and preparation method and application thereof in surface enhanced Raman probe | 辽宁大学 | 2016-09-14 | — | — | CN | claimed |
| CN-105936638-A | Porphyrin compound and preparation method and application thereof in surface enhanced Raman probe | 辽宁大学 | 2016-09-14 | — | — | CN | disclosed |