⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8978004 | 1.00 | — | — | |
| SCHEMBL11239393 | 0.78 | — | — | |
| SCHEMBL11239399 | 0.78 | — | — | |
| SCHEMBL10709217 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL9947095 | 0.72 | — | — | |
| SCHEMBL11061201 | 0.72 | — | — | |
| SCHEMBL11061200 | 0.72 | — | — | |
| SCHEMBL11801315 | 0.72 | — | — | |
| SCHEMBL11801306 | 0.72 | — | — | |
| SCHEMBL1204457 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5525480-A | USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-11 | — | — | US | disclosed |
| EP-0458087-B1 | A ferroelectric liquid crystal composition | CHISSO CORP (JP) | 1995-08-16 | — | — | EP | disclosed |
| US-5334505-A | For colorimetric determination of hydrolases | BOEHRINGER MANNHEIM GMBH (DE) | 1994-08-02 | — | — | US | disclosed |
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| US-5209866-A | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0458087-A2 | A ferroelectric liquid crystal composition | Chisso Corporation (JP) | 1991-11-27 | — | — | EP | disclosed |
| EP-0454157-A1 | Alkylphenylalkylpyrimidine compound and liquid crystal composition containing the same | Chisso Corporation (JP) | 1991-10-30 | — | — | EP | disclosed |
| WO-1986000067-A1 | PYRIMIDINES | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) | 1986-01-03 | — | — | WO | disclosed |