⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23945565 | 1.00 | — | — | |
| SCHEMBL27756045 | 0.81 | SOS1 (0.38) | — | |
| SCHEMBL27776884 | 0.80 | SOS1 (0.39) | — | |
| SCHEMBL19327375 | 0.78 | SOS1 (0.36) | — | |
| SCHEMBL14065661 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL24270549 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6957264 | 0.76 | CSK (0.32) | — | |
| SCHEMBL30799721 | 0.76 | LTA4H (0.47) | — | |
| Histidine SCHEMBL27762881 | 0.76 | TPH1 (0.38) | — | |
| SCHEMBL2735529 | 0.75 | TAS1R3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11117889-B1 | IRAK degraders and uses thereof | KYMERA THERAPEUTICS, INC. (US) | 2021-09-14 | — | — | US | disclosed |