⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14102733 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL4245291 | 0.81 | NOS3 (0.34) | — | |
| SCHEMBL20099218 | 0.76 | — | — | |
| SCHEMBL14102731 | 0.75 | — | — | |
| SCHEMBL22198593 | 0.74 | — | — | |
| SCHEMBL19859677 | 0.73 | HDAC3 (0.32) | — | |
| SCHEMBL14481635 | 0.71 | HDAC3 (0.32) | — | |
| SCHEMBL22198595 | 0.70 | — | — | |
| SCHEMBL21710881 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL12892658 | 0.69 | ALDH1A1 (0.46) | — |
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-11186678-B2 | Radical cascade-enabled synthesis of precision polymers with complex main-chain structures | TRUSTEES OF BOSTON COLLEGE (US) | 2021-11-30 | — | — | US | disclosed |
| US-20200216610-A1 | RADICAL CASCADE-ENABLED SYNTHESIS OF PRECISION POLYMERS WITH COMPLEX MAIN-CHAIN STRUCTURES | TRUSTEES OF BOSTON COLLEGE (US) | 2020-07-09 | — | — | US | disclosed |