⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8667075 | 0.81 | — | — | |
| SCHEMBL60023 | 0.75 | — | — | |
| SCHEMBL7539309 | 0.74 | ELANE (0.30) | — | |
| SCHEMBL3887139 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL27606287 | 0.73 | — | — | |
| SCHEMBL3894433 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL28019239 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL3898185 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL8655739 | 0.72 | HTR2A (0.31) | — | |
| SCHEMBL130050 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2927218-B1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-07-04 | — | — | EP | disclosed |
| US-9725423-B2 | Tetrazolinone compound and applications thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-08-08 | — | — | US | disclosed |
| US-20150299146-A1 | TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-22 | — | — | US | disclosed |
| EP-2927218-A1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-07 | — | — | EP | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| US-4528136-A | Process for preparing 2-[bis(aryl)methyl]benzoic acids | THE HILTON-DAVIS CHEMICAL CO. (US) | 1985-07-09 | — | — | US | disclosed |
| US-4399291-A | CONDENSATION OF A BENZALDEHYDE, AN ANILINE, AN AMINOBENZOIC ACID; OXIDATION | STERLING DRUG INC. (US) | 1983-08-16 | — | — | US | disclosed |