⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12037310 | 0.92 | DRD1 (0.47) | — | |
| SCHEMBL6739116 | 0.85 | PARP10 (0.55) | — | |
| SCHEMBL12893268 | 0.85 | ALDH1A1 (0.54) | — | |
| SCHEMBL12893293 | 0.85 | ALDH1A1 (0.54) | — | |
| SCHEMBL24787901 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL4956384 | 0.83 | CYP2A6 (0.69) | — | |
| SCHEMBL31171 | 0.83 | CYP2A6 (0.69) | — | |
| Cuminaldehyde SCHEMBL23145175 | 0.82 | TYR (0.79) | — | |
| Water SCHEMBL29197442 | 0.79 | CYP2A6 (0.65) | — | |
| Hydrochloric Acid SCHEMBL28807787 | 0.79 | CYP2A6 (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
Appears in 2270 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120189965-B | Nonmetal nitrogen doped lignin-based porous carbon material, preparation method thereof and application of nonmetal nitrogen doped lignin-based porous carbon material in catalyzing aldehyde ammoxidation to synthesize nitrile | 广东工业大学 | 2026-05-15 | — | — | CN | claimed |
| EP-4631532-A1 | PREPARATION METHOD FOR EMBOLIZATION MICROSPHERES | Shanghai Intervascular MedTech Co., Ltd. (CN) | 2025-10-15 | — | — | EP | claimed |
| CN-120189965-A | Nonmetal nitrogen doped lignin-based porous carbon material, preparation method thereof and application of nonmetal nitrogen doped lignin-based porous carbon material in catalyzing aldehyde ammoxidation to synthesize nitrile | 广东工业大学 | 2025-06-24 | — | — | CN | claimed |
| CN-120117949-A | Method for directly preparing tertiary amine compound from aromatic aldehyde, ketone and secondary amine | 湖南大学 | 2025-06-10 | — | — | CN | claimed |
| CN-119972144-A | Method for preparing phenol or ether compound by photocatalysis | 中国科学院化学研究所 | 2025-05-13 | — | — | CN | claimed |
| CN-119841715-A | Method for directly preparing aromatic ether compound from aromatic aldehyde, ketone and phenol | 湖南第一师范学院 | 2025-04-18 | — | — | CN | claimed |
| CN-119219504-B | Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance | 山东金科力电源科技有限公司 | 2025-03-14 | — | — | CN | claimed |
| US-12234384-B2 | Adhesion-improving composition for textile material and associated reinforcing textile material | PORCHER INDUSTRIES (FR) | 2025-02-25 | — | — | US | claimed |
| CN-116178647-B | Cobalt cyclopentadiene-based covalent organic framework material, preparation method and application thereof | 中国石油大学(华东) | 2025-02-14 | — | — | CN | claimed |
| CN-119219504-A | Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance | 山东金科力电源科技有限公司 | 2024-12-31 | — | — | CN | claimed |
| US-6262269-B1 | 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | TREGA BIOSCIENCES, INC. | 2001-07-17 | — | — | US | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | claimed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | claimed |
| US-5808164-A | Process for producing aromatic sulfides | PHILLIPE PETROLEUM COMPANY (US) | 1998-09-15 | — | — | US | claimed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| US-5618981-A | Process for producing aromatic sulfides | PHILLIPS PETROLEUM COMPANY (US) | 1997-04-08 | — | — | US | claimed |
| US-4912231-A | Reacting a proline derivative with an aromatic nucleophile in presence of a Lewis acid catalyst | E. R. SQUIBB & SONS, INC. (US) | 1990-03-27 | — | — | US | claimed |