⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28273786 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL28199938 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL469386 | 0.70 | ALDH1A1 (0.72) | — | |
| Formanilide SCHEMBL27586441 | 0.68 | ALDH1A1 (0.74) | — | |
| SCHEMBL28265709 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL26410341 | 0.67 | — | — | |
| SCHEMBL13278217 | 0.67 | — | — | |
| SCHEMBL1996860 | 0.67 | — | — | |
| SCHEMBL25419098 | 0.65 | — | — | |
| SCHEMBL13134156 | 0.64 | TGM2 (0.55) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114618587-B | Vanadium ligand catalyst, preparation method and application thereof in phenol hydroxylation reaction | 万华化学集团股份有限公司 | 2023-10-20 | — | — | CN | claimed |
| CN-114618587-A | Vanadium ligand catalyst, preparation method and application thereof in phenol hydroxylation reaction | 万华化学集团股份有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-114618587-B | Vanadium ligand catalyst, preparation method and application thereof in phenol hydroxylation reaction | 万华化学集团股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-114618587-B | Vanadium ligand catalyst, preparation method and application thereof in phenol hydroxylation reaction | 万华化学集团股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-114618587-A | Vanadium ligand catalyst, preparation method and application thereof in phenol hydroxylation reaction | 万华化学集团股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114618587-A | Vanadium ligand catalyst, preparation method and application thereof in phenol hydroxylation reaction | 万华化学集团股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-109320499-B | Pyrrole-3-formamide compound and preparation method and application thereof | 沈阳药科大学 | 2020-09-08 | — | — | CN | disclosed |
| CN-109320499-B | Pyrrole-3-formamide compound and preparation method and application thereof | 沈阳药科大学 | 2020-09-08 | — | — | CN | disclosed |
| CN-109320499-B | Pyrrole-3-formamide compound and preparation method and application thereof | 沈阳药科大学 | 2020-09-08 | — | — | CN | disclosed |
| CN-105431422-B | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2019-08-30 | — | — | CN | disclosed |
| CN-105408320-B | 3- (aryl or heteroaryl) methyl indol -2- ketone derivatives as cancer stem cell approach kinase inhibitor for treating cancer | 北京强新生物科技有限公司 | 2019-08-13 | — | — | CN | disclosed |
| US-8158791-B2 | Aza-substituted spiro derivatives | MSD K.K. (JP) | 2012-04-17 | — | — | US | disclosed |
| US-7960402-B2 | Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-7960394-B2 | 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20090258871-A1 | Aza-Substituted Spiro Derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-10-15 | — | — | US | disclosed |
| US-20080275069-A1 | Quinazoline Derivative | MSD K.K. (JP) | 2008-11-06 | — | — | US | disclosed |
| EP-1953165-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-20080171753-A1 | Carbamoyl-Substituted Spiro Derivative | MSD K.K. (JP) | 2008-07-17 | — | — | US | disclosed |
| EP-1795527-A1 | CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-06-13 | — | — | EP | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |