⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19908741 | 1.00 | — | — | |
| SCHEMBL26734583 | 0.93 | SOS1 (0.34) | — | |
| SCHEMBL31707024 | 0.84 | — | — | |
| SCHEMBL14222482 | 0.84 | — | — | |
| SCHEMBL14222413 | 0.84 | — | — | |
| SCHEMBL19619590 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL34473623 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL23970323 | 0.79 | — | — | |
| SCHEMBL24850021 | 0.78 | — | — | |
| SCHEMBL3936436 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237649-A1 | EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |