⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL2861082 | 1.00 | — | — | |
| Butane SCHEMBL21410317 | 0.94 | — | — | |
| Butane SCHEMBL2191959 | 0.93 | — | — | |
| Butane SCHEMBL1019190 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL8454628 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL4387446 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL1003138 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL11764235 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL7457770 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL1019191 | 0.93 | TSHR (0.44) | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118307532-A | N2 substituted triazole-oxazoline chiral compound and preparation method and application thereof | 吉林大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-116096712-A | Novel compounds | NRG治疗有限公司 | 2023-05-09 | — | — | CN | disclosed |
| EP-3489233-B1 | INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2022-01-12 | — | — | EP | disclosed |
| US-10800765-B2 | Indole derivative used as CRTH2 inhibitor | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2020-10-13 | — | — | US | disclosed |
| US-20200237708-A1 | 9,10-Alpha,Alpha-OH-Taxane Analogs and Methods for Production Thereof | TAPESTRY PHARMACEUTICALS, INC. | 2020-07-30 | — | — | US | disclosed |
| US-10639293-B2 | 9,10-α,α-OH-taxane analogs and methods for production thereof | TAPESTRY PHARMACEUTICALS, INC. (US) | 2020-05-05 | — | — | US | disclosed |
| US-20190248770-A1 | INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2019-08-15 | — | — | US | disclosed |
| EP-3489233-A1 | INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2019-05-29 | — | — | EP | disclosed |
| US-20190142784-A1 | 9,10-Alpha,Alpha-OH-Taxane Analogs and Methods for Production Thereof | TAPESTRY PHARMACEUTICALS, INC. | 2019-05-16 | — | — | US | disclosed |
| US-10238621-B2 | 9,10-α,α-OH-taxane analogs and methods for production thereof | TAPESTRY PHARMACEUTICALS, INC. (US) | 2019-03-26 | — | — | US | disclosed |
| CN-1886400-A | 9, 10-alpha, alpha-OH taxane analogs and methods of making the same | TAPESTRY PHARMACEUTICALS INC (US) | 2006-12-27 | — | — | CN | disclosed |
| EP-1664033-A4 | 9,10-ALPHA,ALPHA-OH-TAXANE ANALOGS AND METHODS FOR PRODUCTION THE REOF | TAPESTRY PHARMACEUTICALS INC (US) | 2006-09-13 | — | — | EP | disclosed |
| EP-1664033-A2 | 9,10-ALPHA,ALPHA-OH-TAXANE ANALOGS AND METHODS FOR PRODUCTION THE REOF | Tapestry Pharmaceuticals, Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1656379-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| US-20050148657-A1 | alpha stereochemistry at the C-9 and C-10 OH positions offers excellent inhibition of cell growth against MDR sensitive cancer cell lines; starting materials are Paclitaxel and Docetaxel; increased biological activity; side effect reduction; solubility; better therapeutic profile; anticancer | TAPESTRY PHARMACEUTICALS, INC. | 2005-07-07 | — | — | US | disclosed |
| WO-2005030150-A2 | 9,10-α,α-OH-TAXANE ANALOGS AND METHODS FOR PRODUCTION THEREOF | TAPESTRY PHARMACEUTICALS, INC. (US) | 2005-04-07 | — | — | WO | disclosed |
| US-20050054658-A1 | 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists | THOMPSON WAYNE (US) | 2005-03-10 | — | — | US | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005019222-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| CN-1157822-A | Pharmaceutical compounds | LILLY INDUSTRIES LTD (GB) | 1997-08-27 | — | — | CN | disclosed |