⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9685451 | 0.97 | ADRA2A (0.57) | — | |
| Hydrochloric Acid SCHEMBL9686615 | 0.88 | ADRA1A (0.49) | — | |
| SCHEMBL9686198 | 0.87 | TSHR (0.40) | — | |
| SCHEMBL31187488 | 0.78 | KDM4E (0.82) | — | |
| Hydrochloric Acid SCHEMBL29393496 | 0.77 | POLB (0.80) | — | |
| Hydrochloric Acid SCHEMBL9686209 | 0.76 | POLB (0.56) | — | |
| SCHEMBL9686858 | 0.75 | HTR3A (0.55) | — | |
| SCHEMBL9685229 | 0.75 | USP19 (0.51) | — | |
| SCHEMBL14877525 | 0.74 | KDM4E (0.76) | — | |
| SCHEMBL14095306 | 0.74 | ADRA1A (0.68) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61140568-A | — | — | None | — | — | JP | disclosed |
| EP-0188094-B1 | QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-03-18 | — | — | EP | disclosed |
| US-4734418-A | Quinazoline compounds and antihypertensives | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1988-03-29 | — | — | US | disclosed |
| EP-0188094-A2 | Quinazoline derivatives and antihypertensive preparations containing same as effective components | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1986-07-23 | — | — | EP | disclosed |
| JP-S61140568-A | QUINAZOLINE DERIVATIVE, AND HYPOTENSOR CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | MITSUI PETROCHEM IND LTD | 1986-06-27 | — | — | JP | disclosed |