⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL636677 | 0.78 | MAPK1 (0.40) | — | |
| SCHEMBL1206059 | 0.73 | — | — | |
| SCHEMBL16227141 | 0.73 | — | — | |
| SCHEMBL10883735 | 0.71 | TRPV1 (0.33) | — | |
| SCHEMBL8244125 | 0.71 | — | — | |
| SCHEMBL3410066 | 0.71 | — | — | |
| SCHEMBL713320 | 0.71 | — | — | |
| SCHEMBL26835 | 0.71 | — | — | |
| SCHEMBL12934183 | 0.71 | — | — | |
| SCHEMBL591737 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0617038-B1 | Preparation of carbonic anhydrase inhibitors | ALCON LAB INC (US) | 2001-09-05 | — | — | EP | claimed |
| US-8884021-B2 | Process for preparing racemic nicotine | TOPHARMAN SHANGHAI CO., LTD. (CN) | 2014-11-11 | — | — | US | disclosed |
| US-20140031554-A1 | PROCESS FOR PREPARING RACEMIC NICOTINE | TOPHARMAN SHANGHAI CO., LTD. (CN) | 2014-01-30 | — | — | US | disclosed |
| US-8552003-B2 | (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses | NOVARTIS AG (CH) | 2013-10-08 | — | — | US | disclosed |
| US-8546336-B2 | SMAC peptidometics useful as IAP inhibitors | NOVARTIS AG (CH) | 2013-10-01 | — | — | US | disclosed |
| US-20130005663-A1 | SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS | NOVARTIS AG (CH) | 2013-01-03 | — | — | US | disclosed |
| US-8044209-B2 | Pyrrolydine derivatives as IAP inhibitors | NOVARTIS AG (CH) | 2011-10-25 | — | — | US | disclosed |
| US-20110065726-A1 | Organic Compounds | NORVARTIS AG | 2011-03-17 | — | — | US | disclosed |
| US-20110015232-A1 | Pyrrolydine Derivatives as IAP Inhibitors | NOVARTIS AG | 2011-01-20 | — | — | US | disclosed |
| EP-2200440-A1 | ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS | Crestone, Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009015208-A1 | ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS | REPLIDYNE, INC. (US) | 2009-01-29 | — | — | WO | disclosed |
| US-6103517-A | ECONOMICAL, SIMPLE PRODUCTION OF SECONDARY ALCOHOL CONTAINING ASSYMETRIC CARBON HAVING SUBSTITUTED METHYL GROUP AND HAVING ALKOXY AS TERMINAL GROUP BY ASSYMETRIC TRANSESTERIFICATION USING VINYL PROPIONATE AND LIPASE FROM CANDIDA ANTARCIA | MITSUBISHI GAS CHEMICAL COMPANY (JP) | 2000-08-15 | — | — | US | disclosed |
| EP-0923590-A1 | COMBINATORIAL SYNTHESIS AND ANALYSIS OF ORGANOMETALLIC COMPOUNDS AND CATALYSTS | SYMYX TECHNOLOGIES (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998003521-A1 | COMBINATORIAL SYNTHESIS AND ANALYSIS OF ORGANOMETALLIC COMPOUNDS AND CATALYSTS | SYMYX TECHNOLOGIES (US) | 1998-01-29 | — | — | WO | disclosed |
| US-4784996-A | Pyrimidoindoles useful as hypoglycaemics | JOHN WYETH & BROTHER LTD. (GB) | 1988-11-15 | — | — | US | disclosed |