⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL213887 | 1.00 | — | — | |
| SCHEMBL14127273 | 1.00 | — | — | |
| SCHEMBL37100 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15668481 | 0.97 | TSHR (0.55) | — | |
| SCHEMBL1705373 | 0.97 | TSHR (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL20561016 | 0.97 | TSHR (0.55) | — | |
| Methane SCHEMBL8615254 | 0.97 | TSHR (0.55) | — | |
| Bromide SCHEMBL28550538 | 0.97 | TSHR (0.55) | — | |
| SCHEMBL4935048 | 0.94 | TSHR (0.52) | — | |
| SCHEMBL8750450 | 0.89 | TSHR (0.48) | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117945983-A | Intermediate for preparing CDK4/6 active compound and preparation method thereof | 创沐医药科技(上海)有限公司 | 2024-04-30 | — | — | CN | disclosed |
| US-10336717-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, LLC (US) | 2019-07-02 | — | — | US | disclosed |
| US-10336717-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, LLC (US) | 2019-07-02 | — | — | US | disclosed |
| US-9969742-B2 | Imidazotriazinone compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| US-9969742-B2 | Imidazotriazinone compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| US-9969742-B2 | Imidazotriazinone compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| US-20170327502-A1 | IMIDAZOTRIAZINONE COMPOUNDS | IRONWOOD PHARMACEUTICALS INC (US) | 2017-11-16 | — | — | US | disclosed |
| US-20170327502-A1 | IMIDAZOTRIAZINONE COMPOUNDS | IRONWOOD PHARMACEUTICALS INC (US) | 2017-11-16 | — | — | US | disclosed |
| US-20170327502-A1 | IMIDAZOTRIAZINONE COMPOUNDS | IRONWOOD PHARMACEUTICALS INC (US) | 2017-11-16 | — | — | US | disclosed |
| US-9725453-B2 | Imidazotriazinone compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2017-08-08 | — | — | US | disclosed |
| CN-103313988-A | Imidazotriazinone compounds | ENVIVO PHARMACEUTICALS INC | 2013-09-18 | — | — | CN | disclosed |
| US-20120157458-A1 | IMIDAZOTRIAZINONE COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. | 2012-06-21 | — | — | US | disclosed |
| US-20120157458-A1 | IMIDAZOTRIAZINONE COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. | 2012-06-21 | — | — | US | disclosed |
| US-20120157458-A1 | IMIDAZOTRIAZINONE COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. | 2012-06-21 | — | — | US | disclosed |
| WO-2012040230-A1 | IMIDAZOTRIAZINONE COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. (US) | 2012-03-29 | — | — | WO | disclosed |
| CN-102348698-A | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS INC | 2012-02-08 | — | — | CN | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |