⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9954965 | 0.75 | — | — | |
| SCHEMBL24230547 | 0.73 | — | — | |
| Bromide SCHEMBL15346607 | 0.73 | NOS3 (0.33) | — | |
| Bromide SCHEMBL11305113 | 0.67 | — | — | |
| SCHEMBL7266910 | 0.65 | — | — | |
| SCHEMBL9113381 | 0.64 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL3561323 | 0.64 | NOS3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2415813 | 0.61 | — | — | |
| SCHEMBL20688883 | 0.53 | — | — | |
| SCHEMBL3524530 | 0.50 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022026417-A1 | NOVEL USES | INTRA-CELLULAR THERAPIES, INC. (US) | 2022-02-03 | — | — | WO | disclosed |
| WO-2021127517-A1 | NOVEL USES | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-06-24 | — | — | WO | disclosed |
| WO-2021108691-A1 | METHODS OF TREATMENT | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-06-03 | — | — | WO | disclosed |
| WO-2021035157-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-02-25 | — | — | WO | disclosed |
| WO-2020210614-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2020-10-15 | — | — | WO | disclosed |
| WO-2020146384-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2020-07-16 | — | — | WO | disclosed |
| EP-3424928-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2019-01-09 | — | — | EP | disclosed |
| CN-86108972-A | New benzamides and preparation method thereof and the application in treatment | — | 1987-11-18 | — | — | CN | disclosed |