⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL241782 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL29192395 | 0.73 | — | — | |
| SCHEMBL148511 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL239089 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL8623063 | 0.69 | — | — | |
| SCHEMBL29192376 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL9633713 | 0.61 | KIF11 (0.33) | — | |
| SCHEMBL9633715 | 0.61 | KIF11 (0.33) | — | |
| SCHEMBL28644802 | 0.61 | ESR1 (0.31) | — | |
| SCHEMBL5852573 | 0.60 | TSHR (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018102252-A1 | METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS | NORTH CAROLINA STATE UNIVERSITY (US) | 2018-06-07 | — | — | WO | disclosed |
| EP-1848778-A2 | DE NOVO SYNTHESIS OF BACTERIOCHLORINS | North Carolina State University (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2007078498-A1 | GEOMETRIC SYNTHESIS OF PORPHYRIN RODS | NORTH CAROLINA STATE UNIVERSITY (US) | 2007-07-12 | — | — | WO | disclosed |
| WO-2007064842-A2 | SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES | NORTH CAROLINA STATE UNIVERSITY (US) | 2007-06-07 | — | — | WO | disclosed |
| WO-2006089122-A2 | DE NOVO SYNTHESIS OF BACTERIOCHLORINS | NORTH CAROLINA STATE UNIVERSITY (US) | 2006-08-24 | — | — | WO | disclosed |