⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9047797 | 0.85 | — | — | |
| SCHEMBL12738142 | 0.80 | — | — | |
| SCHEMBL358401 | 0.75 | — | — | |
| SCHEMBL5429342 | 0.71 | — | — | |
| SCHEMBL1196870 | 0.71 | MAOB (0.40) | — | |
| SCHEMBL3254325 | 0.71 | CAPN1 (0.30) | — | |
| SCHEMBL31681667 | 0.70 | PDE5A (0.31) | — | |
| SCHEMBL23409656 | 0.70 | — | — | |
| SCHEMBL18885201 | 0.70 | — | — | |
| SCHEMBL23677 | 0.70 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371467-A2 | Beta-amino boron acid derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-06-06 | — | — | EP | claimed |
| EP-1717230-B1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | MSD KK (JP) | 2014-08-06 | — | — | EP | disclosed |
| US-8268842-B2 | Fused ring 4-oxopyrimidine derivative | MSD K.K. (JP) | 2012-09-18 | — | — | US | disclosed |
| US-20120149703-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVES | JITSUOKA MAKOTO (JP) | 2012-06-14 | — | — | US | disclosed |
| US-8163770-B2 | Benzoxathiin derivative | MSD. K. K. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-8158791-B2 | Aza-substituted spiro derivatives | MSD K.K. (JP) | 2012-04-17 | — | — | US | disclosed |
| CN-102227425-A | Azaindazole compounds as ccr1 receptor antagonists | BOEHRINGER INGELHEIM INT | 2011-10-26 | — | — | CN | 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-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-20100168156-A1 | Novel Benzoxathiine Derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-07-01 | — | — | US | disclosed |
| US-5866579-A | SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1999-02-02 | — | — | US | disclosed |
| CN-1088931-A | New phosphonosuccinic acid derivatives and preparation method thereof and the pharmaceutical composition that contains these compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1994-07-06 | — | — | CN | disclosed |
| EP-0371467-A2 | Beta-amino boron acid derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-06-06 | — | — | EP | disclosed |
| EP-0014402-B1 | NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Takeda Chemical Industries, Ltd. (JP) | 1983-07-20 | — | — | EP | disclosed |
| US-4361650-A | BACILLUS, STREPTOMYCES OR ACTINOMYCES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-11-30 | — | — | US | disclosed |
| EP-0004466-B1 | DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM | Takeda Chemical Industries, Ltd. (JP) | 1982-01-27 | — | — | EP | disclosed |
| US-4307016-A | FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-12-22 | — | — | US | disclosed |
| US-4294757-A | BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1981-10-13 | — | — | US | disclosed |
| EP-0014402-A1 | Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1980-08-20 | — | — | EP | disclosed |
| EP-0004466-A1 | Demethyl maytansinoids and methods for producing them | Takeda Chemical Industries, Ltd. (JP) | 1979-10-03 | — | — | EP | disclosed |