⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12339300 | 0.69 | SOS1 (0.33) | — | |
| SCHEMBL6743419 | 0.68 | SOS1 (0.31) | — | |
| SCHEMBL757660 | 0.67 | SOS1 (0.32) | — | |
| SCHEMBL17789639 | 0.67 | SOS1 (0.45) | — | |
| SCHEMBL27901104 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL3138631 | 0.64 | SOS1 (0.31) | — | |
| SCHEMBL27443832 | 0.64 | SOS1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL3130639 | 0.64 | SOS1 (0.31) | — | |
| SCHEMBL23735915 | 0.63 | SOS1 (0.41) | — | |
| SCHEMBL25859586 | 0.63 | SOS1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105263932-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2016-01-20 | — | — | CN | disclosed |