⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7440759 | 0.99 | — | — | |
| SCHEMBL7444847 | 0.86 | CARM1 (0.36) | — | |
| SCHEMBL7444849 | 0.86 | CARM1 (0.36) | — | |
| SCHEMBL7449628 | 0.82 | MASP2 (0.34) | — | |
| SCHEMBL7449625 | 0.82 | MASP2 (0.34) | — | |
| SCHEMBL7446408 | 0.82 | DRD2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8829325 | 0.81 | MASP2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8829320 | 0.81 | MASP2 (0.33) | — | |
| SCHEMBL7447927 | 0.81 | KMT2A (0.38) | — | |
| SCHEMBL7447921 | 0.81 | KMT2A (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5621133-A | PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES | DENINNO MICHAEL P (US) | 1997-04-15 | — | — | US | disclosed |
| US-5591884-A | PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES | ABBOTT LABORATORIES (US) | 1997-01-07 | — | — | US | disclosed |
| WO-1996038435-A1 | DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-12-05 | — | — | WO | disclosed |
| EP-0474767-B1 | DOPAMINE AGONISTS | ABBOTT LAB (US) | 1996-02-21 | — | — | EP | disclosed |