⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8307302 | 0.97 | CA1 (0.35) | — | |
| SCHEMBL270452 | 0.85 | ADH1C (0.35) | — | |
| SCHEMBL27906062 | 0.81 | ADH1C (0.46) | — | |
| SCHEMBL269246 | 0.80 | ADH1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL9092359 | 0.78 | ADH1A (0.32) | — | |
| SCHEMBL29334399 | 0.78 | ADH1A (0.32) | — | |
| SCHEMBL270711 | 0.78 | — | — | |
| SCHEMBL19084430 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL2001341 | 0.77 | — | — | |
| SCHEMBL11033211 | 0.77 | — | — |
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 682 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0419963-A2 | 1,2,3,4-Tetrahydro-5-nitropyrimidine derivatives | BAYER AG (DE) | 1991-04-03 | — | — | EP | claimed |
| US-4854973-A | SHORT CHAIN CHLORINATED SOLVENTS | NCH CORPORATION (US) | 1989-08-08 | — | — | US | claimed |
| EP-3197896-B1 | SUBSTITUTED OXOPYRIDINE DERIVATIVES | Bayer Pharma AG (DE) | 2019-01-30 | — | — | EP | disclosed |
| US-10138236-B2 | Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-11-27 | — | — | US | disclosed |
| EP-3197891-B1 | FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES | Bayer Pharma AG (DE) | 2018-11-21 | — | — | EP | disclosed |
| US-10077265-B2 | Substituted oxopyridine derivatives | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-09-18 | — | — | US | disclosed |
| US-20170283412-A1 | SUBSTITUTED OXOPYRIDINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-10-05 | — | — | US | disclosed |
| US-20170275282-A1 | FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | US | disclosed |
| US-20160318866-A1 | SUBSTITUTED BIPIPERIDINYL DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-11-03 | — | — | US | disclosed |
| EP-3083594-A1 | SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS | Bayer Pharma Aktiengesellschaft (DE) | 2016-10-26 | — | — | EP | disclosed |
| US-20160280699-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-29 | — | — | US | disclosed |
| WO-1994011334-A1 | SUBSTITUTED ORTHO-ETHENYL-PHENYL ACETIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1994-05-26 | — | — | WO | disclosed |
| US-5298527-A | Insecticides | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-29 | — | — | US | disclosed |
| WO-1993016985-A1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-02 | — | — | WO | disclosed |
| US-5200560-A | Reacting acid with phosgene in presence of catalyst adduct of phosgene and substituted formamide | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |
| EP-0513580-A2 | Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides | BASF Aktiengesellschaft (DE) | 1992-11-19 | — | — | EP | disclosed |
| EP-0476607-A2 | 2-Anilino-cyanopyridines and their use for pest control | BASF Aktiengesellschaft (DE) | 1992-03-25 | — | — | EP | disclosed |
| EP-0475158-A2 | Use of alpha aryl acrylic acid derivatives for pest control | BASF Aktiengesellschaft (DE) | 1992-03-18 | — | — | EP | disclosed |
| US-4854973-A | SHORT CHAIN CHLORINATED SOLVENTS | NCH CORPORATION (US) | 1989-08-08 | — | — | US | disclosed |
| US-4251262-A | 1-Carbamoyl-1,2,4-triazole herbicidal agents | THE BOOTS COMPANY LIMITED (GB) | 1981-02-17 | — | — | US | disclosed |