⚠ 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 | |
|---|---|---|---|---|
| Magnesium Chloride Anhydrous SCHEMBL20642110 | 0.91 | — | — | |
| Formic Acid SCHEMBL10829447 | 0.84 | — | — | |
| Formic Acid SCHEMBL29592192 | 0.82 | — | — | |
| Formic Acid SCHEMBL15260417 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL6682610 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL1331809 | 0.78 | — | — | |
| Formic Acid SCHEMBL6684167 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL29399448 | 0.78 | — | — | |
| Formic Acid SCHEMBL11248324 | 0.78 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL181555 | 0.78 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109575016-A | PDE9 inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-109071534-A | BROMODOMAIN INHIBITORS | 艾伯维公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108093636-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-107848908-A | Process for the oligomerization of olefins by coordination chain transfer polymerization | 萨索尔化学品性能有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107743481-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107743490-A | For the indoleamine 2 for the treatment of cancer, 3 dioxygenase inhibitors | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-103739647-B | Non- steroid conditioning agent for treating the NF κ B of disease | 雷沃根生物医药有限公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-101511359-B | Benzotriazole kinase modulators | HOFFMANN LA ROCHE | 2012-09-05 | — | — | CN | disclosed |
| CN-101511359-A | Benzotriazole kinase modulators | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | CN | disclosed |
| CN-1312151-C | (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker | HOFFMANN LA ROCHE (CH) | 2007-04-25 | — | — | CN | disclosed |
| CN-1653062-A | (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker | HOFFMANN LA ROCHE (CH) | 2005-08-10 | — | — | CN | disclosed |
| CN-1048500-C | Solid component of catalyst for polymerization of ethylene and 2-olefins | ECP EMICHEM POLIMERI S R I (IT) | 2000-01-19 | — | — | CN | disclosed |
| CN-1068578-A | Be used for ethene and alpha-olefin (being total to) polymeric catalyst solid constituent | ECP EMICHEM POLIMERI S R I (IT) | 1993-02-03 | — | — | CN | disclosed |