⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7490 | 0.93 | — | — | |
| SCHEMBL10649555 | 0.93 | — | — | |
| SCHEMBL10416943 | 0.86 | — | — | |
| SCHEMBL116471 | 0.86 | — | — | |
| SCHEMBL17698517 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL662589 | 0.86 | — | — | |
| SCHEMBL5495232 | 0.86 | — | — | |
| SCHEMBL31367011 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8051087 | 0.86 | — | — | |
| SCHEMBL25284870 | 0.80 | — | — |
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-113307813-B | Deep infrared porphyrin alkene derivative, preparation method, antitumor drug and application | 王雨之 | 2022-08-23 | — | — | CN | disclosed |
| CN-113307813-A | Deep infrared porphyrin alkene derivative, preparation method, antitumor drug and application | 王雨之 | 2021-08-27 | — | — | CN | disclosed |