⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28915243 | 0.93 | CHRM2 (0.58) | — | |
| SCHEMBL14566246 | 0.85 | — | — | |
| SCHEMBL17847338 | 0.79 | CHRM2 (0.52) | — | |
| SCHEMBL27095807 | 0.79 | PYCR1 (0.41) | — | |
| SCHEMBL8089608 | 0.78 | — | — | |
| SCHEMBL5961343 | 0.78 | — | — | |
| SCHEMBL13757276 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL9789727 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL14727255 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL22157540 | 0.76 | DNM1 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023159087-A1 | QUINAZOLINE COMPOUNDS AND USE THEREOF AS INHIBTORS OF MUTANT KRAS PROTEINS | AMGEN INC. (US) | 2023-08-24 | — | — | WO | disclosed |
| EP-0340054-B1 | CATIONACTIVE COMPOSITIONS; APPLICATION TO BITUMINOUS EMULSIONS | CECA S.A. (FR) | 1993-01-27 | — | — | EP | disclosed |
| US-5098604-A | Stable emulsions of bitumens and cationic amines for paving which are nonflammable | CECA, S.A. (FR) | 1992-03-24 | — | — | US | disclosed |
| EP-0374205-A1 | CATION-ACTIVE COMPOSITIONS AND THEIR APPLICATION TO BITUMINOUS EMULSIONS | CECA S.A. (FR) | 1990-06-27 | — | — | EP | disclosed |
| EP-0340054-A1 | Cationactive compositions; application to bituminous emulsions | CECA S.A. (FR) | 1989-11-02 | — | — | EP | disclosed |
| WO-1989009089-A1 | CATION-ACTIVE COMPOSITIONS AND THEIR APPLICATION TO BITUMINOUS EMULSIONS | CECA S.A. (FR) | 1989-10-05 | — | — | WO | disclosed |