⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14876645 | 1.00 | — | — | |
| SCHEMBL50733 | 1.00 | — | — | |
| SCHEMBL17188945 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL271156 | 0.97 | CHRNB2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL29920122 | 0.97 | CHRNB2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL611862 | 0.97 | CHRNB2 (0.39) | — | |
| SCHEMBL705004 | 0.88 | CHRNB2 (0.35) | — | |
| SCHEMBL24240867 | 0.84 | — | — | |
| SCHEMBL3936594 | 0.84 | — | — | |
| SCHEMBL16242450 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023230190-A1 | PYRIMIDINE BASED MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2023-11-30 | — | — | WO | disclosed |
| WO-2023150284-A2 | QUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-08-10 | — | — | WO | disclosed |
| WO-2020035052-A1 | PYRAZINE COMPOUNDS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2020-02-20 | — | — | WO | disclosed |