⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7912367 | 0.82 | HSD17B10 (0.37) | — | |
| SCHEMBL27514190 | 0.76 | MGAM (0.41) | — | |
| SCHEMBL26136363 | 0.76 | CYP3A4 (0.44) | — | |
| SCHEMBL1201311 | 0.75 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27774490 | 0.73 | TDP1 (0.42) | — | |
| SCHEMBL24513224 | 0.71 | BLM (0.35) | — | |
| SCHEMBL1712976 | 0.71 | BLM (0.35) | — | |
| SCHEMBL9276921 | 0.71 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL28692601 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL8505938 | 0.70 | GRIK1 (0.42) | — |
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-1120166-C | New class of benzoporphyrin derivative photoactive compounds | UNIV BRITISH COLUMBIA (CA) | 2003-09-03 | — | — | CN | disclosed |
| CN-1255135-A | New class of benzoporphyrin derivative photoactive compounds | UNIV BRITISH COLUMBIA (CA) | 2000-05-31 | — | — | CN | disclosed |