⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3587331 | 0.77 | — | — | |
| Benzene SCHEMBL1970604 | 0.76 | CYP3A4 (0.34) | — | |
| SCHEMBL11776926 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL8160672 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL717495 | 0.69 | — | — | |
| SCHEMBL135781 | 0.69 | — | — | |
| SCHEMBL5469060 | 0.69 | — | — | |
| SCHEMBL11786338 | 0.69 | — | — | |
| SCHEMBL7048943 | 0.69 | — | — | |
| SCHEMBL11702690 | 0.67 | — | — |
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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115448861-A | Ethyl naphthalene series liquid crystal monomer compound, and preparation method and application thereof | 中节能万润股份有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-115093418-A | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors | 豪夫迈·罗氏有限公司 | 2022-09-23 | — | — | CN | claimed |
| CN-115073476-A | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors | 豪夫迈·罗氏有限公司 | 2022-09-20 | — | — | CN | claimed |
| US-10457685-B2 | [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor | HOFFMANN-LA ROCHE INC. (US) | 2019-10-29 | — | — | US | claimed |
| US-20190127384-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | HOFFMANN-LA ROCHE INC. (US) | 2019-05-02 | — | — | US | claimed |
| EP-3475282-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | H. Hoffnabb-La Roche Ag (CH) | 2019-05-01 | — | — | EP | claimed |
| CN-109385267-A | A kind of rare earth-phosphonic acids ultra-thin two-dimension material and its preparation method and application | 复旦大学 | 2019-02-26 | — | — | CN | claimed |
| CN-109348716-A | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors | 豪夫迈·罗氏有限公司 | 2019-02-15 | — | — | CN | claimed |
| WO-2017220517-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-28 | — | — | WO | claimed |
| US-20120289681-A1 | CONJUGATES OF CELL-PENETRATING PEPTIDES AND PHOSPHORESCENT METALLOPORPHYRINS FOR INTRACELLULAR OXYGEN MEASUREMENT | UNIVERSITY COLLEGE CORK, NATIONAL UNIVERSITY OF IRELAND CORK (IE) | 2012-11-15 | — | — | US | claimed |
| EP-2440252-A1 | CONJUGATES OF CELL- PENETRATING PEPTIDES AND PHOSPHORESCENT METALLOPORPHYRINS FOR INTRACELLULAR OXYGEN MEASUREMENT | University College Cork, National University of Ireland, Cork (IE) | 2012-04-18 | — | — | EP | claimed |
| WO-2010143172-A1 | CONJUGATES OF CELL- PENETRATING PEPTIDES AND PHOSPHORESCENT METALLOPORPHYRINS FOR INTRACELLULAR OXYGEN MEASUREMENT | UNIVERSITY COLLEGE CORK, NATIONAL UNIVERSITY OF IRELAND CORK (IE) | 2010-12-16 | — | — | WO | claimed |
| EP-0529175-B1 | Conjugates chelated with paramagnetic metals for targetting | BRACCO INT BV (NL) | 1995-08-09 | — | — | EP | claimed |
| US-5414114-A | Method for making conjugate moieties capable of chelating paramagnetic metals and designed for coupling with a factor responsive to specific cellular marker sites | BRACCO INTERNATIONAL B.V. (NL) | 1995-05-09 | — | — | US | claimed |
| EP-0417870-B1 | Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy | DIAGNOSTIKFORSCHUNG INST (DE) | 1994-07-20 | — | — | EP | claimed |
| US-5202423-A | Terpyridine derivatives | WALLAC OY | 1993-04-13 | — | — | US | claimed |
| EP-0529175-A1 | Conjugates chelated with paramagnetic metals for targetting | BRACCO International B.V. (NL) | 1993-03-03 | — | — | EP | claimed |
| WO-1993001837-A1 | CONJUGATED MOIETIES FOR CHELATING PARAMAGNETIC METALS | SINTETICA S.A. (CH) | 1993-02-04 | — | — | WO | claimed |
| JP-6100519-A | — | — | None | — | — | JP | disclosed |
| US-3880871-A | Isothiocyanophenyl substituted imidazoles | SQUIBB & SONS INC | 1975-04-29 | — | — | US | disclosed |