⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8775830 | 0.73 | DRD2 (0.56) | — | |
| SCHEMBL18399015 | 0.72 | DRD2 (0.49) | — | |
| SCHEMBL27403589 | 0.72 | CYP2D6 (0.65) | — | |
| SCHEMBL2599485 | 0.72 | CYP2D6 (0.65) | — | |
| SCHEMBL18776559 | 0.72 | DRD2 (0.46) | — | |
| SCHEMBL27471534 | 0.71 | TAAR1 (0.50) | — | |
| SCHEMBL1637335 | 0.71 | — | — | |
| SCHEMBL2298285 | 0.71 | — | — | |
| SCHEMBL27885240 | 0.71 | DRD2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL2599502 | 0.71 | CYP2D6 (0.63) | — |
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-107200715-A | Quinazoline derivant and its application in antineoplastic is prepared | 陕西师范大学 | 2017-09-26 | — | — | CN | disclosed |