⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29164948 | 1.00 | — | — | |
| SCHEMBL11849677 | 1.00 | — | — | |
| SCHEMBL27684230 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL5201983 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL9998050 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL28729478 | 0.91 | — | — | |
| Cetostearyl Alcohol SCHEMBL27790444 | 0.86 | TSHR (0.56) | — | |
| SCHEMBL5968107 | 0.86 | PPARG (0.64) | — | |
| SCHEMBL3122377 | 0.80 | — | — | |
| SCHEMBL3122384 | 0.80 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437269-A | A kind of B (4,5) alkyl replaces the synthetic method of caborane compounds | XIAN MODERN CHEMISTRY RES INST | 2019-11-12 | — | — | CN | claimed |
| CN-110437269-B | Synthesis method of B (4,5) alkyl substituted carborane compound | 西安近代化学研究所 | 2021-11-23 | — | — | CN | disclosed |
| CN-110437269-A | A kind of B (4,5) alkyl replaces the synthetic method of caborane compounds | XIAN MODERN CHEMISTRY RES INST | 2019-11-12 | — | — | CN | disclosed |
| US-9725751-B2 | Development of a detection microsystem | CENTRE SCIENTIFIQUE ET TECHNIQUE DU BATIMENT (FR) | 2017-08-08 | — | — | US | disclosed |
| CN-103025703-B | The improvement preparation of chalcone derivative | GENFIT (FR) | 2015-10-14 | — | — | CN | disclosed |
| EP-1819684-B1 | SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS | INTERVET INT BV (NL) | 2013-08-07 | — | — | EP | disclosed |
| US-20130171687-A1 | DEVELOPMENT OF A DETECTION MICROSYSTEM | CENTRE SCIENTIFIQUE ET TECHNIQUE DU BATIMENT (FR) | 2013-07-04 | — | — | US | disclosed |
| CN-100575403-C | liquid rigid plastic | DEGUSSA | 2009-12-30 | — | — | CN | disclosed |
| CN-1633467-A | Liquid rigid plastics | DEGUSSA (DE) | 2005-06-29 | — | — | CN | disclosed |
| US-4357315-A | Use of 1-ethoxy-1-ethanol acetate for augmenting or enhancing the taste of toothpaste | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-11-02 | — | — | US | disclosed |
| US-4330417-A | 1-N-Butoxy-1-ethanol acetate and uses thereof for augmenting or enhancing the aroma or taste of consumable materials | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-05-18 | — | — | US | disclosed |
| US-3984478-A | TREATING AN UNSATURATED COMPOUND WITH CARBON MONOXIDE IN A HETEROGENEOUS CATALYST | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1976-10-05 | — | — | US | disclosed |