⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL383294 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL25171327 | 0.93 | — | — | |
| SCHEMBL11612544 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL562939 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL6655197 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL459333 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL6548274 | 0.71 | — | — | |
| SCHEMBL2076271 | 0.71 | — | — | |
| SCHEMBL2076270 | 0.71 | — | — | |
| SCHEMBL3863230 | 0.71 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4292459-A | Coupling reaction involving a Grignard and allylic halide | SCM CORPORATION (US) | 1981-09-29 | — | — | US | claimed |
| CN-118812488-A | Melilotoide, analogues thereof and uses thereof | 普渡研究基金会 | 2024-10-22 | — | — | CN | disclosed |
| WO-2024157915-A1 | COMPOSITION, GRIGNARD REAGENT, AND METHOD FOR PRODUCING COMPOSITION | 株式会社クラレ | 2024-08-02 | — | — | WO | disclosed |
| US-9403755-B2 | Isometheptene isomer | TONIX PHARMA HOLDINGS LIMITED (BERMUDA) (BM) | 2016-08-02 | — | — | US | disclosed |
| EP-2945928-A2 | ISOMETHEPTENE ISOMER | Tonix Pharmaceuticals, Inc. (US) | 2015-11-25 | — | — | EP | disclosed |
| US-20140212486-A1 | ISOMETHEPTENE ISOMER | TONIX PHARMACEUTICALS INC. (US) | 2014-07-31 | — | — | US | disclosed |
| WO-2014113734-A2 | ISOMETHEPTENE ISOMER | TONIX PHARMACEUTICALS INC. (US) | 2014-07-24 | — | — | WO | disclosed |
| EP-0637580-B1 | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL CO (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-6063940-A | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| US-5637736-A | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-06-10 | — | — | US | disclosed |
| EP-0637580-A1 | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1995-02-08 | — | — | EP | disclosed |
| US-4826815-A | HYPOTENSIVE | ABBOTT LABORATORIES (US) | 1989-05-02 | — | — | US | disclosed |
| US-4652551-A | PEPTIDE, HYPOTENSIVE | ABBOTT LABORATORIES (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0172346-A2 | Renin inhibiting compounds | ABBOTT LABORATORIES (US) | 1986-02-26 | — | — | EP | disclosed |
| US-4293497-A | ALKYLATION CATALYSTS, VIATMIN E | SCM CORPORATION (US) | 1981-10-06 | — | — | US | disclosed |
| US-4292454-A | INTERMEDIATES FOR VITAMIN E | SCM CORPORATION (US) | 1981-09-29 | — | — | US | disclosed |
| US-4292459-A | Coupling reaction involving a Grignard and allylic halide | SCM CORPORATION (US) | 1981-09-29 | — | — | US | disclosed |
| US-4228313-A | TO PREPARE A REARRANGED UNSATURATED HYDROCARBON | SCM CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |
| US-4221742-A | Coupling reaction involving a Grignard and allylic halide | SCM CORPORATION (US) | 1980-09-09 | — | — | US | disclosed |