⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25497 | 0.73 | — | — | |
| SCHEMBL625427 | 0.69 | — | — | |
| SCHEMBL7524999 | 0.69 | — | — | |
| SCHEMBL3798894 | 0.67 | HDAC3 (0.38) | — | |
| SCHEMBL9064370 | 0.65 | HDAC1 (0.41) | — | |
| Ethane SCHEMBL22363253 | 0.65 | — | — | |
| SCHEMBL63211 | 0.63 | — | — | |
| SCHEMBL5943138 | 0.61 | TSHR (0.46) | — | |
| SCHEMBL64527 | 0.59 | — | — | |
| SCHEMBL21496044 | 0.59 | FOLH1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5780622-A | CYCLIZATION, OXIDATION | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1998-07-14 | — | — | US | disclosed |
| US-5656756-A | PHOTOSENSITIZERS IN PHOTODYNAMIC THERAPY, ANTITUMOR AGENTS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1997-08-12 | — | — | US | disclosed |
| WO-1995029914-A1 | A METHOD OF SYNTHESIZING 5,15-DIARYLBENZOCHLORIN-7-ONE COMPOUNDS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1995-11-09 | — | — | WO | disclosed |