⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19839151 | 0.76 | CYP2A6 (0.39) | — | |
| SCHEMBL31125014 | 0.74 | — | — | |
| SCHEMBL4994664 | 0.73 | CA2 (0.42) | — | |
| SCHEMBL16065202 | 0.71 | — | — | |
| SCHEMBL5987300 | 0.70 | MAPK8 (0.30) | — | |
| SCHEMBL28149133 | 0.70 | — | — | |
| SCHEMBL3041792 | 0.67 | MAPT (0.46) | — | |
| SCHEMBL846067 | 0.66 | — | — | |
| SCHEMBL7014325 | 0.66 | GPR35 (0.33) | — | |
| SCHEMBL2986172 | 0.65 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11427598-B2 | Spiro-cyclic amine derivatives as S1P modulators | AbbVie Deutschland GmbH & Co. KG (DE) | 2022-08-30 | — | — | US | disclosed |
| CN-109195602-B | Symmetrical or semi-symmetrical compounds useful as immunomodulators | 上海齐鲁制药研究中心有限公司 | 2022-01-07 | — | — | CN | disclosed |
| US-20210130364-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2021-05-06 | — | — | US | disclosed |
| US-10807991-B2 | Spiro-cyclic amine derivatives as S1P modulators | ABBVIE B.V. (NL) | 2020-10-20 | — | — | US | disclosed |
| US-20190218227-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2019-07-18 | — | — | US | disclosed |
| EP-3493804-A1 | SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS | Arising International, Inc. (US) | 2019-06-12 | — | — | EP | disclosed |
| US-10179791-B2 | Spiro-cyclic amine derivatives as S1P modulators | ABBVIE B.V. (NL) | 2019-01-15 | — | — | US | disclosed |
| US-9951084-B2 | Spiro-cyclic amine derivatives as S1P modulators | Abb Vie B.V. (NL) | 2018-04-24 | — | — | US | disclosed |
| WO-2018026971-A1 | SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS | ARISING INTERNATIONAL, LLC (US) | 2018-02-08 | — | — | WO | disclosed |
| WO-2018026971-A1 | SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS | ARISING INTERNATIONAL, LLC (US) | 2018-02-08 | — | — | WO | disclosed |
| EP-3144312-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie B.V. (NL) | 2017-03-22 | — | — | EP | disclosed |
| EP-2590955-B9 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2017-02-22 | — | — | EP | disclosed |
| US-20160340363-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-11-24 | — | — | US | disclosed |
| EP-2590955-B1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2016-10-12 | — | — | EP | disclosed |
| US-20130196998-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-08-01 | — | — | US | disclosed |
| EP-2590955-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |