⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9718917 | 0.70 | CYP2A6 (0.40) | — | |
| SCHEMBL4510678 | 0.65 | — | — | |
| SCHEMBL29519135 | 0.65 | TSHR (0.53) | — | |
| SCHEMBL18457 | 0.65 | TSHR (0.53) | — | |
| SCHEMBL4515162 | 0.64 | ENPP2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL7002372 | 0.63 | TSHR (0.52) | — | |
| SCHEMBL25294557 | 0.62 | CA2 (0.45) | — | |
| SCHEMBL31152920 | 0.62 | CA2 (0.45) | — | |
| SCHEMBL29673477 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL1833873 | 0.62 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8592404-B2 | Derivatives of porphyrin, particularly chlorins and/or bacteriochlorins, and uses thereof in photodynamic therapy | UNIVERSIDADE DE COIMBRA (PT) | 2013-11-26 | — | — | US | disclosed |
| US-20090149525-A1 | NOVEL DERIVATIVES OF PORPHYRIN, PARTICULARLY CHLORINS AND/OR BACTERIOCHLORINS, AND USES THEREOF IN PHOTODYNAMIC THERAPY | UNIVERSIDADE DE COIMBRA (PT) | 2009-06-11 | — | — | US | disclosed |