⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18459004 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL13763371 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL22952316 | 0.80 | — | — | |
| SCHEMBL16980433 | 0.80 | — | — | |
| SCHEMBL21298888 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL8315958 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL25094125 | 0.73 | — | — | |
| SCHEMBL24848214 | 0.73 | — | — | |
| SCHEMBL21741240 | 0.72 | — | — | |
| SCHEMBL19276526 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018118-A1 | TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY | C 4 Therapeutics, Inc. (US) | 2024-01-18 | — | — | US | disclosed |