⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28246557 | 0.97 | — | — | |
| SCHEMBL4733814 | 0.97 | — | — | |
| Ethane SCHEMBL359937 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28862368 | 0.97 | — | — | |
| Methane SCHEMBL7078621 | 0.97 | — | — | |
| Ethylene SCHEMBL11140079 | 0.94 | — | — | |
| Butane SCHEMBL4629896 | 0.89 | ALDH1A1 (0.38) | — | |
| Propene SCHEMBL4356441 | 0.87 | — | — | |
| Cyclohexane SCHEMBL11664221 | 0.84 | — | — | |
| SCHEMBL30978821 | 0.79 | — | — |
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 772 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119118869-A | Recovery method of 2-cyano-2-valproic acid | 湖南省湘中制药有限公司 | 2024-12-13 | — | — | CN | claimed |
| US-20240294522-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | LEAD DISCOVERY CENTER GMBH (DE) | 2024-09-05 | — | — | US | claimed |
| CN-117886708-A | Synthesis method of milbelin benzenesulfonate | 浙江天宇药业股份有限公司 | 2024-04-16 | — | — | CN | claimed |
| EP-4313294-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | Lead Discovery Center GmbH (DE) | 2024-02-07 | — | — | EP | claimed |
| CN-116621732-A | 2-cyano-2-valproate and preparation method and application thereof | 湖南大学 | 2023-08-22 | — | — | CN | claimed |
| WO-2022263548-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | LEAD DISCOVERY CENTER GMBH (DE) | 2022-12-22 | — | — | WO | claimed |
| EP-4104901-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | Lead Discovery Center GmbH (DE) | 2022-12-21 | — | — | EP | claimed |
| CN-111010876-B | Encapsulation method | 陶氏环球技术有限责任公司 | 2022-01-11 | — | — | CN | claimed |
| CN-110959036-B | Detergent additive | 陶氏环球技术有限责任公司 | 2022-01-04 | — | — | CN | claimed |
| US-10829450-B2 | Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine | UNICHEM LABORATORIES LIMITED (IN) | 2020-11-10 | — | — | US | claimed |
| US-20040063954-A1 | Antibacterial cyano-(substituted)-methylenepiperidinophenyl oxazolidinones targeting multiple ribonucleoprotein sites | WOCKHARDT LIMITED | 2004-04-01 | — | — | US | claimed |
| WO-2004007489-A2 | ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | WOCKHARDT LIMITED (IN) | 2004-01-22 | — | — | WO | claimed |
| WO-2003027104-A1 | FUMAGILLOL DERIVATIVES AND PREPARING METHOD THEREOF | IDRTECH INC. (KR) | 2003-04-03 | — | — | WO | claimed |
| US-6124503-A | Processes for making and using alkylaminoarylcarbonyl compounds | EASTMAN KODAK COMPANY (US) | 2000-09-26 | — | — | US | claimed |
| EP-0388587-B1 | PROCESS FOR THE INDUSTRIAL KNOEVENAGEL SYNTHESIS | HÜLS AKTIENGESELLSCHAFT (DE) | 1992-11-11 | — | — | EP | claimed |
| US-4567004-A | Process for the preparation of monomethyl-substituted methylene compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-28 | — | — | US | claimed |
| EP-0118354-B1 | CHEMICAL PROCESS FOR THE PURIFICATION OF A MIXTURE OF ISOPRENE TRIMERS | RHONE-POULENC SANTE (FR) | 1985-10-23 | — | — | EP | claimed |
| EP-0118354-A1 | Chemical process for the purification of a mixture of isoprene trimers | RHONE-POULENC SANTE (FR) | 1984-09-12 | — | — | EP | claimed |
| EP-0017396-B1 | HEPTENO-NITRILES, PROCESS FOR THEIR PREPARATION AND PERFUMERY COMPOSITIONS CONTAINING THEM | BUSH BOAKE ALLEN Limited (GB) | 1983-06-01 | — | — | EP | claimed |
| EP-0017396-A1 | Hepteno-nitriles, process for their preparation and perfumery compositions containing them | BUSH BOAKE ALLEN Limited (GB) | 1980-10-15 | — | — | EP | claimed |