⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10232351 | 0.87 | DUT (0.32) | — | |
| SCHEMBL10181980 | 0.78 | — | — | |
| SCHEMBL14547885 | 0.77 | — | — | |
| SCHEMBL14470718 | 0.71 | ACACB (0.32) | — | |
| SCHEMBL6599500 | 0.70 | DUT (0.30) | — | |
| SCHEMBL3547281 | 0.70 | DUT (0.30) | — | |
| SCHEMBL16928457 | 0.70 | CA2 (0.48) | — | |
| SCHEMBL9628649 | 0.69 | HDAC1 (0.53) | — | |
| SCHEMBL17849933 | 0.69 | DUT (0.31) | — | |
| SCHEMBL16798436 | 0.68 | SLC1A2 (0.40) | — |
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-8207329-B2 | Synthesis of chlorins and phorbines with enhanced red spectral features | NORTH CAROLINA STATE UNIVERSITY (US) | 2012-06-26 | — | — | US | disclosed |
| US-20090227553-A1 | SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-09-10 | — | — | US | disclosed |