⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9588285 | 0.63 | — | — | |
| SCHEMBL3655474 | 0.57 | — | — | |
| SCHEMBL2041196 | 0.57 | — | — | |
| SCHEMBL61745 | 0.57 | — | — | |
| SCHEMBL11532570 | 0.48 | — | — | |
| SCHEMBL6718539 | 0.40 | — | — | |
| Hydroquinone SCHEMBL460669 | 0.38 | ALOX15 (1.00) | — | |
| SCHEMBL10338943 | 0.38 | — | — | |
| Hydroquinone SCHEMBL15516 | 0.38 | — | — | |
| SCHEMBL67178 | 0.38 | APP (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009007187-A1 | SUBSTITUTED 5-HETARYLPYRIMIDINES | BASF SE (DE) | 2009-01-15 | — | — | WO | claimed |
| US-4570000-A | HISTAMINE HH-2 ANTAGONISTS; GASTROINTESTINAL DISORDERS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1986-02-11 | — | — | US | claimed |
| EP-0060696-B1 | NITROGEN HETEROCYCLES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-01-15 | — | — | EP | claimed |
| WO-2009007187-A1 | SUBSTITUTED 5-HETARYLPYRIMIDINES | BASF SE (DE) | 2009-01-15 | — | — | WO | disclosed |
| EP-0196005-B1 | PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1989-12-20 | — | — | EP | disclosed |
| EP-0196005-A1 | Pyridazinones, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1986-10-01 | — | — | EP | disclosed |
| US-4570000-A | HISTAMINE HH-2 ANTAGONISTS; GASTROINTESTINAL DISORDERS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1986-02-11 | — | — | US | disclosed |
| EP-0060696-B1 | NITROGEN HETEROCYCLES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-01-15 | — | — | EP | disclosed |
| US-4460584-A | GUANIDINE DERIVATIVES, ANTISECRETORY AGENT | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-17 | — | — | US | disclosed |