⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7324404 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL611539 | 0.70 | — | — | |
| Bromide SCHEMBL27471439 | 0.69 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL6546580 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL9036380 | 0.67 | — | — | |
| SCHEMBL4600542 | 0.63 | — | — | |
| SCHEMBL12872249 | 0.63 | — | — | |
| SCHEMBL1259804 | 0.63 | — | — | |
| SCHEMBL11680379 | 0.63 | — | — | |
| SCHEMBL236564 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5659029-A | REACTING HYDROXYL-CONTAINING PYRROLE COMPOUNDS WITH AN OXIDIZING AGENT IN PRESENCE OF WATER INSOLUBLE ORGANIC SOLVENT AND ACID CATALYST AND A METAL SALT; COMPLEXING | SUN COMPANY, INC. (R&M) (US) | 1997-08-19 | — | — | US | claimed |
| EP-0780391-A2 | Preparation of porphyrins and their metal complexes | SUN COMPANY, INC. (R&M) (US) | 1997-06-25 | — | — | EP | claimed |
| US-6433162-B1 | CYCLIZATION OF PYRROLE COMPOUND; DEBLOCKING | EMORY UNIVERSITY | 2002-08-13 | — | — | US | disclosed |
| WO-2000052012-A2 | A METHOD FOR SYNTHESIZING PORPHYRIN COMPOUNDS | EMORY UNIVERSITY (US) | 2000-09-08 | — | — | WO | disclosed |